(1S)-N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylcyclohexan-1-amine

C15H28N4 — CID 124680879

IUPAC(1S)-N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCC[C@@H]1NCc1cn(C(C)(C)C)nn1
InChIInChI=1S/C15H28N4/c1-14(2,3)19-11-12(17-18-19)10-16-13-8-6-7-9-15(13,4)5/h11,13,16H,6-10H2,1-5H3/t13-/m0/s1
InChIKeyINUIHBNGCMNPNK-ZDUSSCGKSA-N
MW264.42 g/mol
LogP3.09
Rot. Bonds3

About (1S)-N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylcyclohexan-1-amine

(1S)-N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylcyclohexan-1-amine (PubChem CID 124680879) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is (1S)-N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name(1S)-N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylcyclohexan-1-amine
PubChem CID124680879
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name(1S)-N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCC[C@@H]1NCc1cn(C(C)(C)C)nn1
InChIInChI=1S/C15H28N4/c1-14(2,3)19-11-12(17-18-19)10-16-13-8-6-7-9-15(13,4)5/h11,13,16H,6-10H2,1-5H3/t13-/m0/s1
InChIKeyINUIHBNGCMNPNK-ZDUSSCGKSA-N
XLogP3.09
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylcyclohexan-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

Related Compounds

N-[(1-tert-butyltriazol-4-yl)methyl]-1-methylcyclopentan-1-amine
CID 103398984
2,2-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine
CID 106895331
N-[(1-tert-butyltriazol-4-yl)methyl]-2-cyclopropylpropan-2-amine
CID 103527388
N-[(1-tert-butyltriazol-4-yl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 103399147
(1R)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-cycloheptylethanamine
CID 103399276
N-[(1-tert-butyltriazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 103398651
N-[(1-tert-butyltriazol-4-yl)methyl]-2-cyclopropyloxolan-3-amine
CID 103527586
N-[(1-tert-butyltriazol-4-yl)methyl]hydroxylamine
CID 103399314
N-[(1-tert-butyltriazol-4-yl)methyl]-2-methylpropan-2-amine
CID 103398443
N-[(1-tert-butyltriazol-4-yl)methyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 103399101
1-(1-tert-butyltriazol-4-yl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 103527503
N-[(1-tert-butyltriazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 103399050

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of (1S)-N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylcyclohexan-1-amine (CID 124680879) is (1S)-N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for (1S)-N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for (1S)-N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylcyclohexan-1-amine is CC1(C)CCCC[C@@H]1NCc1cn(C(C)(C)C)nn1.
What is the InChIKey of (1S)-N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylcyclohexan-1-amine?
The InChIKey is INUIHBNGCMNPNK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H28N4/c1-14(2,3)19-11-12(17-18-19)10-16-13-8-6-7-9-15(13,4)5/h11,13,16H,6-10H2,1-5H3/t13-/m0/s1.
What are the key properties of (1S)-N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylcyclohexan-1-amine?
(1S)-N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylcyclohexan-1-amine has a molecular weight of 264.42 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 124680879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).