4-methoxy-N,4-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine

C14H27N3O — CID 103031632

IUPAC4-methoxy-N,4-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
SMILESCNC(CCC(C)(C)OC)c1c(C)nn(C)c1C
InChIInChI=1S/C14H27N3O/c1-10-13(11(2)17(6)16-10)12(15-5)8-9-14(3,4)18-7/h12,15H,8-9H2,1-7H3
InChIKeyXXSMSPRWJMRRLG-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.50
Rot. Bonds6

About 4-methoxy-N,4-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine

4-methoxy-N,4-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine (PubChem CID 103031632) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-methoxy-N,4-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine.

Molecular Properties

Compound Name4-methoxy-N,4-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
PubChem CID103031632
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name4-methoxy-N,4-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
SMILESCNC(CCC(C)(C)OC)c1c(C)nn(C)c1C
InChIInChI=1S/C14H27N3O/c1-10-13(11(2)17(6)16-10)12(15-5)8-9-14(3,4)18-7/h12,15H,8-9H2,1-7H3
InChIKeyXXSMSPRWJMRRLG-UHFFFAOYSA-N
XLogP2.50
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methylamino)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
CID 64812406
5-methoxy-5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol
CID 103028410
[5-methoxy-5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-yl]hydrazine
CID 103026489
N-ethyl-1-[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
CID 103037035
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105160975
N-ethyl-5,5,5-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
CID 105174254
N-(3-methoxy-3-methylbutyl)-1,3-dimethylpyrazol-4-amine
CID 103033669
4-methoxy-N,4-dimethyl-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine
CID 103128455
N-methyl-2-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105137555
1-(2-chloro-6-fluorophenyl)-4-methoxy-N,4-dimethylpentan-1-amine
CID 103032302
1-(3-ethyl-2-pyridinyl)-4-methoxy-N,4-dimethylpentan-1-amine
CID 103036007
1-(3-chloro-5-methylphenyl)-4-methoxy-N,4-dimethylpentan-1-amine
CID 103031602

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,4-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine?
The IUPAC name of 4-methoxy-N,4-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine (CID 103031632) is 4-methoxy-N,4-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine.
What is the SMILES notation for 4-methoxy-N,4-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine?
The canonical SMILES for 4-methoxy-N,4-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine is CNC(CCC(C)(C)OC)c1c(C)nn(C)c1C.
What is the InChIKey of 4-methoxy-N,4-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine?
The InChIKey is XXSMSPRWJMRRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-10-13(11(2)17(6)16-10)12(15-5)8-9-14(3,4)18-7/h12,15H,8-9H2,1-7H3.
What are the key properties of 4-methoxy-N,4-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine?
4-methoxy-N,4-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,4-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine is sourced from PubChem (CID 103031632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).