1-(3-methylcyclohexyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine

C13H23N3 — CID 78921607

IUPAC1-(3-methylcyclohexyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine
SMILESCC1CCCC(CNCc2ccn(C)n2)C1
InChIInChI=1S/C13H23N3/c1-11-4-3-5-12(8-11)9-14-10-13-6-7-16(2)15-13/h6-7,11-12,14H,3-5,8-10H2,1-2H3
InChIKeyPSXHTSAVLLKJLZ-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.34
Rot. Bonds4

About 1-(3-methylcyclohexyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine

1-(3-methylcyclohexyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine (PubChem CID 78921607) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-(3-methylcyclohexyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-methylcyclohexyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine
PubChem CID78921607
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-(3-methylcyclohexyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine
SMILESCC1CCCC(CNCc2ccn(C)n2)C1
InChIInChI=1S/C13H23N3/c1-11-4-3-5-12(8-11)9-14-10-13-6-7-16(2)15-13/h6-7,11-12,14H,3-5,8-10H2,1-2H3
InChIKeyPSXHTSAVLLKJLZ-UHFFFAOYSA-N
XLogP2.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine
CID 78921663
1-(1,1-dioxothiolan-3-yl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 78920808
N-[(1-methylpyrazol-3-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 124559394
1-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 126921649
2-[(1-methylpyrazol-3-yl)methylamino]cyclohexan-1-ol
CID 78967242
1-methyl-N-[(3-methylcyclohexyl)methyl]-3-propan-2-ylpyrazol-4-amine
CID 114262679
1-(1-methylpiperidin-3-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine
CID 64770921
2-(cyclopropylmethylsulfanyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 115703209
N-[(1-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 78920944
1-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1,3-diamine
CID 82882921
2-methyl-3-[[(1-methylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol
CID 107268345
[4-[(1-methylpyrazol-3-yl)methylamino]cyclohexyl]methanol
CID 103753154

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclohexyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(3-methylcyclohexyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine (CID 78921607) is 1-(3-methylcyclohexyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-methylcyclohexyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(3-methylcyclohexyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine is CC1CCCC(CNCc2ccn(C)n2)C1.
What is the InChIKey of 1-(3-methylcyclohexyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine?
The InChIKey is PSXHTSAVLLKJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-11-4-3-5-12(8-11)9-14-10-13-6-7-16(2)15-13/h6-7,11-12,14H,3-5,8-10H2,1-2H3.
What are the key properties of 1-(3-methylcyclohexyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine?
1-(3-methylcyclohexyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine has a molecular weight of 221.35 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclohexyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine is sourced from PubChem (CID 78921607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).