[1-[(1-methyltriazol-4-yl)methyl]-4-propan-2-ylcyclohexyl]methanamine

C14H26N4 — CID 107057422

IUPAC[1-[(1-methyltriazol-4-yl)methyl]-4-propan-2-ylcyclohexyl]methanamine
SMILESCC(C)C1CCC(CN)(Cc2cn(C)nn2)CC1
InChIInChI=1S/C14H26N4/c1-11(2)12-4-6-14(10-15,7-5-12)8-13-9-18(3)17-16-13/h9,11-12H,4-8,10,15H2,1-3H3
InChIKeyWJVWONYVAKFCPN-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.15
Rot. Bonds4

About [1-[(1-methyltriazol-4-yl)methyl]-4-propan-2-ylcyclohexyl]methanamine

[1-[(1-methyltriazol-4-yl)methyl]-4-propan-2-ylcyclohexyl]methanamine (PubChem CID 107057422) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is [1-[(1-methyltriazol-4-yl)methyl]-4-propan-2-ylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(1-methyltriazol-4-yl)methyl]-4-propan-2-ylcyclohexyl]methanamine
PubChem CID107057422
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name[1-[(1-methyltriazol-4-yl)methyl]-4-propan-2-ylcyclohexyl]methanamine
SMILESCC(C)C1CCC(CN)(Cc2cn(C)nn2)CC1
InChIInChI=1S/C14H26N4/c1-11(2)12-4-6-14(10-15,7-5-12)8-13-9-18(3)17-16-13/h9,11-12H,4-8,10,15H2,1-3H3
InChIKeyWJVWONYVAKFCPN-UHFFFAOYSA-N
XLogP2.15
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[(1-methyltriazol-4-yl)methyl]-4-propan-2-ylcyclohexyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(1-methyltriazol-4-yl)methyl]cyclooctyl]methanamine
CID 107057461
[1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-propan-2-ylcyclohexyl]methanamine
CID 65425655
1-methyl-4-[[3-(2-methylpropyl)azetidin-3-yl]methyl]triazole
CID 107058600
2-methyl-N-[[1-[(1-methyltriazol-4-yl)methyl]cyclobutyl]methyl]propan-1-amine
CID 107053273
[4-propan-2-yl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanamine
CID 112645146
N-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]cyclobutyl]methanamine
CID 107053262
4-methyl-1-[(1-methyltriazol-4-yl)methyl]cyclohexane-1-carboxylic acid
CID 107057485
2-ethyl-1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine
CID 107046702
2-[(1-methyltriazol-4-yl)methyl]-4-propan-2-ylcyclohexan-1-one
CID 107044535
1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-ol
CID 107045659
1-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-ol
CID 107045687
2,4-dimethyl-1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-ol
CID 107046074

Frequently Asked Questions

What is the IUPAC name of [1-[(1-methyltriazol-4-yl)methyl]-4-propan-2-ylcyclohexyl]methanamine?
The IUPAC name of [1-[(1-methyltriazol-4-yl)methyl]-4-propan-2-ylcyclohexyl]methanamine (CID 107057422) is [1-[(1-methyltriazol-4-yl)methyl]-4-propan-2-ylcyclohexyl]methanamine.
What is the SMILES notation for [1-[(1-methyltriazol-4-yl)methyl]-4-propan-2-ylcyclohexyl]methanamine?
The canonical SMILES for [1-[(1-methyltriazol-4-yl)methyl]-4-propan-2-ylcyclohexyl]methanamine is CC(C)C1CCC(CN)(Cc2cn(C)nn2)CC1.
What is the InChIKey of [1-[(1-methyltriazol-4-yl)methyl]-4-propan-2-ylcyclohexyl]methanamine?
The InChIKey is WJVWONYVAKFCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-11(2)12-4-6-14(10-15,7-5-12)8-13-9-18(3)17-16-13/h9,11-12H,4-8,10,15H2,1-3H3.
What are the key properties of [1-[(1-methyltriazol-4-yl)methyl]-4-propan-2-ylcyclohexyl]methanamine?
[1-[(1-methyltriazol-4-yl)methyl]-4-propan-2-ylcyclohexyl]methanamine has a molecular weight of 250.39 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-methyltriazol-4-yl)methyl]-4-propan-2-ylcyclohexyl]methanamine is sourced from PubChem (CID 107057422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).