N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dimethylcyclohexan-1-amine

C15H28N4 — CID 103398563

IUPACN-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(NCc2cn(C(C)(C)C)nn2)C1C
InChIInChI=1S/C15H28N4/c1-11-7-6-8-14(12(11)2)16-9-13-10-19(18-17-13)15(3,4)5/h10-12,14,16H,6-9H2,1-5H3
InChIKeyYACWVGCGWWOCDI-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.95
Rot. Bonds3

About N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dimethylcyclohexan-1-amine

N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dimethylcyclohexan-1-amine (PubChem CID 103398563) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dimethylcyclohexan-1-amine
PubChem CID103398563
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(NCc2cn(C(C)(C)C)nn2)C1C
InChIInChI=1S/C15H28N4/c1-11-7-6-8-14(12(11)2)16-9-13-10-19(18-17-13)15(3,4)5/h10-12,14,16H,6-9H2,1-5H3
InChIKeyYACWVGCGWWOCDI-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-tert-butyltriazol-4-yl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 103399147
N-[(1-tert-butyltriazol-4-yl)methyl]-2-cyclopropyloxolan-3-amine
CID 103527586
(1S)-N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 124680879
N-[(1-tert-butyltriazol-4-yl)methyl]-2-cyclopropylpropan-2-amine
CID 103527388
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 115586406
N-[(1-tert-butyltriazol-4-yl)methyl]-2-methylpropan-2-amine
CID 103398443
N-[(1-tert-butyltriazol-4-yl)methyl]hydroxylamine
CID 103399314
N-[(1-tert-butyltriazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 103398815
(1R)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-cycloheptylethanamine
CID 103399276
N-[(1-tert-butyltriazol-4-yl)methyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 103399101
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]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 103398822

Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dimethylcyclohexan-1-amine (CID 103398563) is N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dimethylcyclohexan-1-amine is CC1CCCC(NCc2cn(C(C)(C)C)nn2)C1C.
What is the InChIKey of N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dimethylcyclohexan-1-amine?
The InChIKey is YACWVGCGWWOCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-11-7-6-8-14(12(11)2)16-9-13-10-19(18-17-13)15(3,4)5/h10-12,14,16H,6-9H2,1-5H3.
What are the key properties of N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dimethylcyclohexan-1-amine?
N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dimethylcyclohexan-1-amine has a molecular weight of 264.42 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 103398563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).