N-methyl-1-[4-propyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methanamine

C17H31N3 — CID 81029527

IUPACN-methyl-1-[4-propyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methanamine
SMILESCCCC1CCC(CNC)C(c2cnn(CCC)c2)C1
InChIInChI=1S/C17H31N3/c1-4-6-14-7-8-15(11-18-3)17(10-14)16-12-19-20(13-16)9-5-2/h12-15,17-18H,4-11H2,1-3H3
InChIKeyYVURVZJUZPJMLX-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.81
Rot. Bonds7

About N-methyl-1-[4-propyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methanamine

N-methyl-1-[4-propyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methanamine (PubChem CID 81029527) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-methyl-1-[4-propyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-propyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methanamine
PubChem CID81029527
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-methyl-1-[4-propyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methanamine
SMILESCCCC1CCC(CNC)C(c2cnn(CCC)c2)C1
InChIInChI=1S/C17H31N3/c1-4-6-14-7-8-15(11-18-3)17(10-14)16-12-19-20(13-16)9-5-2/h12-15,17-18H,4-11H2,1-3H3
InChIKeyYVURVZJUZPJMLX-UHFFFAOYSA-N
XLogP3.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-ethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]-N-methylmethanamine
CID 81031706
1-[2-(1-ethylpyrazol-4-yl)-4-methylcyclohexyl]-N-methylmethanamine
CID 81025836
N-methyl-1-[2-(5-methyl-3-pyridinyl)-4-propylcyclohexyl]methanamine
CID 115375691
N-[[2-(1-propylpyrazol-4-yl)cyclobutyl]methyl]ethanamine
CID 81018130
N-methyl-1-[4-propyl-2-(1-propylimidazol-2-yl)cyclohexyl]methanamine
CID 81029967
1-[2-(3,5-difluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine
CID 81029451
N-[[2-(1-propylpyrazol-4-yl)cyclobutyl]methyl]propan-2-amine
CID 81017644
4-[2-(chloromethyl)cyclopropyl]-1-propylpyrazole
CID 103573688
1-[2-(3,4-difluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine
CID 81029742
1-[2-(3-fluoro-4-pyridinyl)-4-propylcyclohexyl]-N-methylmethanamine
CID 104739476
[2-(1-propylpyrazol-4-yl)cyclobutyl]methanamine
CID 81009628
4-tert-butyl-2-(1-propylpyrazol-4-yl)cyclohexan-1-amine
CID 81014748

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-propyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-[4-propyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methanamine (CID 81029527) is N-methyl-1-[4-propyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-propyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-[4-propyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methanamine is CCCC1CCC(CNC)C(c2cnn(CCC)c2)C1.
What is the InChIKey of N-methyl-1-[4-propyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methanamine?
The InChIKey is YVURVZJUZPJMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-4-6-14-7-8-15(11-18-3)17(10-14)16-12-19-20(13-16)9-5-2/h12-15,17-18H,4-11H2,1-3H3.
What are the key properties of N-methyl-1-[4-propyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methanamine?
N-methyl-1-[4-propyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methanamine has a molecular weight of 277.46 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-propyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methanamine is sourced from PubChem (CID 81029527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).