N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine

C12H21N3 — CID 118118791

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine
SMILESC=C(NCc1cnn(C)c1C)C(C)(C)C
InChIInChI=1S/C12H21N3/c1-9-11(8-14-15(9)6)7-13-10(2)12(3,4)5/h8,13H,2,7H2,1,3-6H3
InChIKeyBWDGJNGTQIQJKO-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.38
Rot. Bonds3

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine

N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine (PubChem CID 118118791) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine
PubChem CID118118791
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine
SMILESC=C(NCc1cnn(C)c1C)C(C)(C)C
InChIInChI=1S/C12H21N3/c1-9-11(8-14-15(9)6)7-13-10(2)12(3,4)5/h8,13H,2,7H2,1,3-6H3
InChIKeyBWDGJNGTQIQJKO-UHFFFAOYSA-N
XLogP2.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4,4-trimethylpent-2-enamide
CID 126801316
(1,5-dimethylpyrazol-4-yl)methylthiourea
CID 106032933
N-[(1,5-dimethylpyrazol-4-yl)methyl]prop-2-enamide
CID 106033545
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,2-dimethyl-3-sulfanylidenepropanamide
CID 106035269
2-tert-butylsulfanyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 115767802
1-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol
CID 155693973
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 22209446
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-2-sulfanylbutanamide
CID 106040607
N-(2-aminoethyl)-N'-[(1,5-dimethylpyrazol-4-yl)methyl]oxamide
CID 106033656
2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethylurea
CID 83110053
tert-butyl 2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-2-ethylbutanoate
CID 126835673
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-3-methylidenecyclobutane-1-carboxamide
CID 126840448

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine (CID 118118791) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine is C=C(NCc1cnn(C)c1C)C(C)(C)C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine?
The InChIKey is BWDGJNGTQIQJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9-11(8-14-15(9)6)7-13-10(2)12(3,4)5/h8,13H,2,7H2,1,3-6H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine is sourced from PubChem (CID 118118791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).