2-methyl-N-[[1-(4-methylcyclohexyl)triazol-4-yl]methyl]propan-1-amine

C14H26N4 — CID 66193062

IUPAC2-methyl-N-[[1-(4-methylcyclohexyl)triazol-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cn(C2CCC(C)CC2)nn1
InChIInChI=1S/C14H26N4/c1-11(2)8-15-9-13-10-18(17-16-13)14-6-4-12(3)5-7-14/h10-12,14-15H,4-9H2,1-3H3
InChIKeyOVPYVWHNORZVJF-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.77
Rot. Bonds5

About 2-methyl-N-[[1-(4-methylcyclohexyl)triazol-4-yl]methyl]propan-1-amine

2-methyl-N-[[1-(4-methylcyclohexyl)triazol-4-yl]methyl]propan-1-amine (PubChem CID 66193062) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-methyl-N-[[1-(4-methylcyclohexyl)triazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(4-methylcyclohexyl)triazol-4-yl]methyl]propan-1-amine
PubChem CID66193062
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name2-methyl-N-[[1-(4-methylcyclohexyl)triazol-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cn(C2CCC(C)CC2)nn1
InChIInChI=1S/C14H26N4/c1-11(2)8-15-9-13-10-18(17-16-13)14-6-4-12(3)5-7-14/h10-12,14-15H,4-9H2,1-3H3
InChIKeyOVPYVWHNORZVJF-UHFFFAOYSA-N
XLogP2.77
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 124680879
N-[(3-ethyltriazol-4-yl)methyl]cyclohexanamine
CID 126815328
cis-(1S,2R)-N-methyl-N-[(1-methyltriazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 137984832
trans-(1S,2S)-2-fluoro-N-[(3-methyltriazol-4-yl)methyl]cyclohexan-1-amine
CID 164642380
N,N-dimethyl-1-[1-[1-(2-methylpentyl)piperidin-4-yl]triazol-4-yl]methanamine
CID 46984898
N-[(1-methyltriazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 55113700
N-[(1-methyltriazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 62755245
N-[(1-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 62755610
N-methyl-1-[1-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]triazol-4-yl]methanamine
CID 65529970
N-[[1-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]triazol-4-yl]methyl]ethanamine
CID 65529971
N-methyl-1-[1-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]triazol-4-yl]methanamine
CID 65531895
N-[[1-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]triazol-4-yl]methyl]ethanamine
CID 65531896

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(4-methylcyclohexyl)triazol-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-(4-methylcyclohexyl)triazol-4-yl]methyl]propan-1-amine (CID 66193062) is 2-methyl-N-[[1-(4-methylcyclohexyl)triazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-(4-methylcyclohexyl)triazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-(4-methylcyclohexyl)triazol-4-yl]methyl]propan-1-amine is CC(C)CNCc1cn(C2CCC(C)CC2)nn1.
What is the InChIKey of 2-methyl-N-[[1-(4-methylcyclohexyl)triazol-4-yl]methyl]propan-1-amine?
The InChIKey is OVPYVWHNORZVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-11(2)8-15-9-13-10-18(17-16-13)14-6-4-12(3)5-7-14/h10-12,14-15H,4-9H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-(4-methylcyclohexyl)triazol-4-yl]methyl]propan-1-amine?
2-methyl-N-[[1-(4-methylcyclohexyl)triazol-4-yl]methyl]propan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(4-methylcyclohexyl)triazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 66193062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).