N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;N,N-dimethyl-1-(2-propan-2-yl-4-pyridinyl)methanamine;N,N-dimethyl-1-(6-propan-2-yl-3-pyridinyl)methanamine;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-2-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene

C137H214N24O4S3 — CID 161405213

IUPACN,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;N,N-dimethyl-1-(2-propan-2-yl-4-pyridinyl)methanamine;N,N-dimethyl-1-(6-propan-2-yl-3-pyridinyl)methanamine;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-2-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene
SMILESCC(C)c1cc(CN(C)C)ccn1.CC(C)c1ccc(CN(C)C)cn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccn(C)c1.CC(C)c1ccncc1.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1ccsc1.CC(C)c1cn(C)cn1.CC(C)c1cnn(C)c1.CC(C)c1cnn(CCN(C)C)c1.CC(C)c1cnoc1.CC(C)c1cnsc1.CC(C)c1nccn1C.CC(C)c1ncco1.CC(C)c1nccs1.Cc1cccnc1C(C)C
InChIInChI=1S/2C11H18N2.C10H19N3.C9H13N.C8H13N.3C8H11N.3C7H12N2.C7H10S.4C6H9NO.2C6H9NS/c1-9(2)11-7-10(5-6-12-11)8-13(3)4;1-9(2)11-6-5-10(7-12-11)8-13(3)4;1-9(2)10-7-11-13(8-10)6-5-12(3)4;1-7(2)9-8(3)5-4-6-10-9;1-7(2)8-4-5-9(3)6-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-8-9(3)5-7;1-6(2)7-8-4-5-9(7)3;1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6/h2*5-7,9H,8H2,1-4H3;7-9H,5-6H2,1-4H3;4-7H,1-3H3;4-7H,1-3H3;3*3-7H,1-2H3;3*4-6H,1-3H3;3-6H,1-2H3;6*3-5H,1-2H3
InChIKeyVUTBRGJRQQNNRZ-UHFFFAOYSA-N
MW2357.58 g/mol
LogP36.61
Rot. Bonds25

About N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;N,N-dimethyl-1-(2-propan-2-yl-4-pyridinyl)methanamine;N,N-dimethyl-1-(6-propan-2-yl-3-pyridinyl)methanamine;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-2-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene

N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;N,N-dimethyl-1-(2-propan-2-yl-4-pyridinyl)methanamine;N,N-dimethyl-1-(6-propan-2-yl-3-pyridinyl)methanamine;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-2-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene (PubChem CID 161405213) has the molecular formula C137H214N24O4S3 and a molecular weight of 2357.58 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;N,N-dimethyl-1-(2-propan-2-yl-4-pyridinyl)methanamine;N,N-dimethyl-1-(6-propan-2-yl-3-pyridinyl)methanamine;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-2-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;N,N-dimethyl-1-(2-propan-2-yl-4-pyridinyl)methanamine;N,N-dimethyl-1-(6-propan-2-yl-3-pyridinyl)methanamine;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-2-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene
PubChem CID161405213
Molecular FormulaC137H214N24O4S3
Molecular Weight2357.58 g/mol
Exact Mass2355.64
IUPAC NameN,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;N,N-dimethyl-1-(2-propan-2-yl-4-pyridinyl)methanamine;N,N-dimethyl-1-(6-propan-2-yl-3-pyridinyl)methanamine;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-2-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene
SMILESCC(C)c1cc(CN(C)C)ccn1.CC(C)c1ccc(CN(C)C)cn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccn(C)c1.CC(C)c1ccncc1.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1ccsc1.CC(C)c1cn(C)cn1.CC(C)c1cnn(C)c1.CC(C)c1cnn(CCN(C)C)c1.CC(C)c1cnoc1.CC(C)c1cnsc1.CC(C)c1nccn1C.CC(C)c1ncco1.CC(C)c1nccs1.Cc1cccnc1C(C)C
InChIInChI=1S/2C11H18N2.C10H19N3.C9H13N.C8H13N.3C8H11N.3C7H12N2.C7H10S.4C6H9NO.2C6H9NS/c1-9(2)11-7-10(5-6-12-11)8-13(3)4;1-9(2)11-6-5-10(7-12-11)8-13(3)4;1-9(2)10-7-11-13(8-10)6-5-12(3)4;1-7(2)9-8(3)5-4-6-10-9;1-7(2)8-4-5-9(3)6-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-8-9(3)5-7;1-6(2)7-8-4-5-9(7)3;1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6/h2*5-7,9H,8H2,1-4H3;7-9H,5-6H2,1-4H3;4-7H,1-3H3;4-7H,1-3H3;3*3-7H,1-2H3;3*4-6H,1-3H3;3-6H,1-2H3;6*3-5H,1-2H3
InChIKeyVUTBRGJRQQNNRZ-UHFFFAOYSA-N
XLogP36.61
TPSA293.17 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds25
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002357.58
LogP ≤ 536.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;N,N-dimethyl-1-(2-propan-2-yl-4-pyridinyl)methanamine;N,N-dimethyl-1-(6-propan-2-yl-3-pyridinyl)methanamine;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-2-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;N,N-dimethyl-1-(2-propan-2-yl-4-pyridinyl)methanamine;N,N-dimethyl-1-(6-propan-2-yl-3-pyridinyl)methanamine;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-2-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene?
The IUPAC name of N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;N,N-dimethyl-1-(2-propan-2-yl-4-pyridinyl)methanamine;N,N-dimethyl-1-(6-propan-2-yl-3-pyridinyl)methanamine;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-2-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene (CID 161405213) is N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;N,N-dimethyl-1-(2-propan-2-yl-4-pyridinyl)methanamine;N,N-dimethyl-1-(6-propan-2-yl-3-pyridinyl)methanamine;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-2-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene.
What is the SMILES notation for N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;N,N-dimethyl-1-(2-propan-2-yl-4-pyridinyl)methanamine;N,N-dimethyl-1-(6-propan-2-yl-3-pyridinyl)methanamine;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-2-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene?
The canonical SMILES for N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;N,N-dimethyl-1-(2-propan-2-yl-4-pyridinyl)methanamine;N,N-dimethyl-1-(6-propan-2-yl-3-pyridinyl)methanamine;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-2-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene is CC(C)c1cc(CN(C)C)ccn1.CC(C)c1ccc(CN(C)C)cn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccn(C)c1.CC(C)c1ccncc1.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1ccsc1.CC(C)c1cn(C)cn1.CC(C)c1cnn(C)c1.CC(C)c1cnn(CCN(C)C)c1.CC(C)c1cnoc1.CC(C)c1cnsc1.CC(C)c1nccn1C.CC(C)c1ncco1.CC(C)c1nccs1.Cc1cccnc1C(C)C.
What is the InChIKey of N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;N,N-dimethyl-1-(2-propan-2-yl-4-pyridinyl)methanamine;N,N-dimethyl-1-(6-propan-2-yl-3-pyridinyl)methanamine;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-2-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene?
The InChIKey is VUTBRGJRQQNNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H18N2.C10H19N3.C9H13N.C8H13N.3C8H11N.3C7H12N2.C7H10S.4C6H9NO.2C6H9NS/c1-9(2)11-7-10(5-6-12-11)8-13(3)4;1-9(2)11-6-5-10(7-12-11)8-13(3)4;1-9(2)10-7-11-13(8-10)6-5-12(3)4;1-7(2)9-8(3)5-4-6-10-9;1-7(2)8-4-5-9(3)6-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-8-9(3)5-7;1-6(2)7-8-4-5-9(7)3;1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6/h2*5-7,9H,8H2,1-4H3;7-9H,5-6H2,1-4H3;4-7H,1-3H3;4-7H,1-3H3;3*3-7H,1-2H3;3*4-6H,1-3H3;3-6H,1-2H3;6*3-5H,1-2H3.
What are the key properties of N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;N,N-dimethyl-1-(2-propan-2-yl-4-pyridinyl)methanamine;N,N-dimethyl-1-(6-propan-2-yl-3-pyridinyl)methanamine;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-2-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene?
N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;N,N-dimethyl-1-(2-propan-2-yl-4-pyridinyl)methanamine;N,N-dimethyl-1-(6-propan-2-yl-3-pyridinyl)methanamine;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-2-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene has a molecular weight of 2357.58 g/mol, XLogP of 36.61, 25 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;N,N-dimethyl-1-(2-propan-2-yl-4-pyridinyl)methanamine;N,N-dimethyl-1-(6-propan-2-yl-3-pyridinyl)methanamine;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-2-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrrole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene is sourced from PubChem (CID 161405213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).