N-methyl-1-[2-[(1-methylpyrazol-3-yl)methyl]-4-propylcyclohexyl]methanamine

C16H29N3 — CID 82882340

IUPACN-methyl-1-[2-[(1-methylpyrazol-3-yl)methyl]-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CNC)C(Cc2ccn(C)n2)C1
InChIInChI=1S/C16H29N3/c1-4-5-13-6-7-14(12-17-2)15(10-13)11-16-8-9-19(3)18-16/h8-9,13-15,17H,4-7,10-12H2,1-3H3
InChIKeyZKFDOKPHMZQFPW-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.01
Rot. Bonds6

About N-methyl-1-[2-[(1-methylpyrazol-3-yl)methyl]-4-propylcyclohexyl]methanamine

N-methyl-1-[2-[(1-methylpyrazol-3-yl)methyl]-4-propylcyclohexyl]methanamine (PubChem CID 82882340) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-methyl-1-[2-[(1-methylpyrazol-3-yl)methyl]-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-[(1-methylpyrazol-3-yl)methyl]-4-propylcyclohexyl]methanamine
PubChem CID82882340
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-methyl-1-[2-[(1-methylpyrazol-3-yl)methyl]-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CNC)C(Cc2ccn(C)n2)C1
InChIInChI=1S/C16H29N3/c1-4-5-13-6-7-14(12-17-2)15(10-13)11-16-8-9-19(3)18-16/h8-9,13-15,17H,4-7,10-12H2,1-3H3
InChIKeyZKFDOKPHMZQFPW-UHFFFAOYSA-N
XLogP3.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[2-[(1-methylpyrazol-3-yl)methyl]cycloheptyl]methanamine
CID 82882248
1-[4-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine
CID 81032455
1-[2-[(3,5-dimethylphenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine
CID 81033230
1-[2-[(2-fluorophenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine
CID 81029072
1-[2-[(3,4-dimethylphenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine
CID 81033714
N-methyl-1-[4-propyl-2-(1-propylimidazol-2-yl)cyclohexyl]methanamine
CID 81029967
1-(2-hexyl-4-propylcyclohexyl)-N-methylmethanamine
CID 81029078
N-methyl-1-[2-(2-methylidenebutyl)-4-propylcyclohexyl]methanamine
CID 81029595
N-[[2-[(1-methylimidazol-2-yl)methyl]-4-propylcyclohexyl]methyl]propan-2-amine
CID 81025279
N-methyl-1-[4-methyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexyl]methanamine
CID 107059268
N-methyl-1-[2-(2-methylprop-2-enyl)-4-propylcyclohexyl]methanamine
CID 81029231
1-[4-ethyl-2-(pyridin-4-ylmethyl)cyclohexyl]-N-methylmethanamine
CID 81031325

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[(1-methylpyrazol-3-yl)methyl]-4-propylcyclohexyl]methanamine?
The IUPAC name of N-methyl-1-[2-[(1-methylpyrazol-3-yl)methyl]-4-propylcyclohexyl]methanamine (CID 82882340) is N-methyl-1-[2-[(1-methylpyrazol-3-yl)methyl]-4-propylcyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-[(1-methylpyrazol-3-yl)methyl]-4-propylcyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-[2-[(1-methylpyrazol-3-yl)methyl]-4-propylcyclohexyl]methanamine is CCCC1CCC(CNC)C(Cc2ccn(C)n2)C1.
What is the InChIKey of N-methyl-1-[2-[(1-methylpyrazol-3-yl)methyl]-4-propylcyclohexyl]methanamine?
The InChIKey is ZKFDOKPHMZQFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-4-5-13-6-7-14(12-17-2)15(10-13)11-16-8-9-19(3)18-16/h8-9,13-15,17H,4-7,10-12H2,1-3H3.
What are the key properties of N-methyl-1-[2-[(1-methylpyrazol-3-yl)methyl]-4-propylcyclohexyl]methanamine?
N-methyl-1-[2-[(1-methylpyrazol-3-yl)methyl]-4-propylcyclohexyl]methanamine has a molecular weight of 263.43 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[(1-methylpyrazol-3-yl)methyl]-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 82882340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).