(4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanamine

C11H20N4 — CID 114687447

IUPAC(4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanamine
SMILESCC1CCC(C(N)c2cnnn2C)CC1
InChIInChI=1S/C11H20N4/c1-8-3-5-9(6-4-8)11(12)10-7-13-14-15(10)2/h7-9,11H,3-6,12H2,1-2H3
InChIKeyVHVQRFFAGXOWSF-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.64
Rot. Bonds2

About (4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanamine

(4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanamine (PubChem CID 114687447) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is (4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanamine
PubChem CID114687447
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name(4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanamine
SMILESCC1CCC(C(N)c2cnnn2C)CC1
InChIInChI=1S/C11H20N4/c1-8-3-5-9(6-4-8)11(12)10-7-13-14-15(10)2/h7-9,11H,3-6,12H2,1-2H3
InChIKeyVHVQRFFAGXOWSF-UHFFFAOYSA-N
XLogP1.64
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-methylcyclohexyl)-(3-methyltriazol-4-yl)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

(4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanol
CID 114685116
[(4-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105210538
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-methyltriazol-4-yl)methanamine
CID 105043775
(4-butylcyclohexyl)-(3-propyltriazol-4-yl)methanamine
CID 105038676
cyclopropyl-(3-phenyltriazol-4-yl)methanamine
CID 114687020
[cyclooctyl-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105255052
(4-ethylcyclohexyl)-(3-methyltriazol-4-yl)methanol
CID 114686506
6-bicyclo[3.1.0]hexanyl-(3-methyltriazol-4-yl)methanol
CID 115835967
1-(3-methyltriazol-4-yl)-2-(thian-4-yl)ethanol
CID 105128683
1-cyclooctyl-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114688757
3-methyl-1-(3-methyltriazol-4-yl)butan-1-amine
CID 114686985
(4-methylcyclohexyl)-(5-methylpyrazin-2-yl)methanamine
CID 105153825

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanamine?
The IUPAC name of (4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanamine (CID 114687447) is (4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanamine.
What is the SMILES notation for (4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanamine?
The canonical SMILES for (4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanamine is CC1CCC(C(N)c2cnnn2C)CC1.
What is the InChIKey of (4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanamine?
The InChIKey is VHVQRFFAGXOWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-8-3-5-9(6-4-8)11(12)10-7-13-14-15(10)2/h7-9,11H,3-6,12H2,1-2H3.
What are the key properties of (4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanamine?
(4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanamine has a molecular weight of 208.31 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanamine is sourced from PubChem (CID 114687447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).