(1R,3R,4S)-3,4-dimethyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]cyclohexan-1-amine

C13H24N4 — CID 129436961

IUPAC(1R,3R,4S)-3,4-dimethyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]cyclohexan-1-amine
SMILESC[C@H](Cn1cncn1)N[C@@H]1CC[C@H](C)[C@H](C)C1
InChIInChI=1S/C13H24N4/c1-10-4-5-13(6-11(10)2)16-12(3)7-17-9-14-8-15-17/h8-13,16H,4-7H2,1-3H3/t10-,11+,12+,13+/m0/s1
InChIKeyUVRGJFLYRFVXHE-UMSGYPCISA-N
MW236.36 g/mol
LogP2.08
Rot. Bonds4

About (1R,3R,4S)-3,4-dimethyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]cyclohexan-1-amine

(1R,3R,4S)-3,4-dimethyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]cyclohexan-1-amine (PubChem CID 129436961) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is (1R,3R,4S)-3,4-dimethyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name(1R,3R,4S)-3,4-dimethyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]cyclohexan-1-amine
PubChem CID129436961
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name(1R,3R,4S)-3,4-dimethyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]cyclohexan-1-amine
SMILESC[C@H](Cn1cncn1)N[C@@H]1CC[C@H](C)[C@H](C)C1
InChIInChI=1S/C13H24N4/c1-10-4-5-13(6-11(10)2)16-12(3)7-17-9-14-8-15-17/h8-13,16H,4-7H2,1-3H3/t10-,11+,12+,13+/m0/s1
InChIKeyUVRGJFLYRFVXHE-UMSGYPCISA-N
XLogP2.08
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,3R,4S)-3,4-dimethyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]cyclohexan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,3R,4S)-3,4-dimethyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]cyclohexan-1-amine?
The IUPAC name of (1R,3R,4S)-3,4-dimethyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]cyclohexan-1-amine (CID 129436961) is (1R,3R,4S)-3,4-dimethyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]cyclohexan-1-amine.
What is the SMILES notation for (1R,3R,4S)-3,4-dimethyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]cyclohexan-1-amine?
The canonical SMILES for (1R,3R,4S)-3,4-dimethyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]cyclohexan-1-amine is C[C@H](Cn1cncn1)N[C@@H]1CC[C@H](C)[C@H](C)C1.
What is the InChIKey of (1R,3R,4S)-3,4-dimethyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]cyclohexan-1-amine?
The InChIKey is UVRGJFLYRFVXHE-UMSGYPCISA-N. The full InChI is InChI=1S/C13H24N4/c1-10-4-5-13(6-11(10)2)16-12(3)7-17-9-14-8-15-17/h8-13,16H,4-7H2,1-3H3/t10-,11+,12+,13+/m0/s1.
What are the key properties of (1R,3R,4S)-3,4-dimethyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]cyclohexan-1-amine?
(1R,3R,4S)-3,4-dimethyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]cyclohexan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4S)-3,4-dimethyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 129436961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).