N-[[2-(5-bromo-3-methyltriazol-4-yl)-4,4-dimethylcyclohexyl]methyl]-2-methylpropan-2-amine

C16H29BrN4 — CID 106463997

IUPACN-[[2-(5-bromo-3-methyltriazol-4-yl)-4,4-dimethylcyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCn1nnc(Br)c1C1CC(C)(C)CCC1CNC(C)(C)C
InChIInChI=1S/C16H29BrN4/c1-15(2,3)18-10-11-7-8-16(4,5)9-12(11)13-14(17)19-20-21(13)6/h11-12,18H,7-10H2,1-6H3
InChIKeyRBLMOUPEKVGUGM-UHFFFAOYSA-N
MW357.34 g/mol
LogP3.88
Rot. Bonds3

About N-[[2-(5-bromo-3-methyltriazol-4-yl)-4,4-dimethylcyclohexyl]methyl]-2-methylpropan-2-amine

N-[[2-(5-bromo-3-methyltriazol-4-yl)-4,4-dimethylcyclohexyl]methyl]-2-methylpropan-2-amine (PubChem CID 106463997) has the molecular formula C16H29BrN4 and a molecular weight of 357.34 g/mol. Its IUPAC name is N-[[2-(5-bromo-3-methyltriazol-4-yl)-4,4-dimethylcyclohexyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(5-bromo-3-methyltriazol-4-yl)-4,4-dimethylcyclohexyl]methyl]-2-methylpropan-2-amine
PubChem CID106463997
Molecular FormulaC16H29BrN4
Molecular Weight357.34 g/mol
Exact Mass356.16
IUPAC NameN-[[2-(5-bromo-3-methyltriazol-4-yl)-4,4-dimethylcyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCn1nnc(Br)c1C1CC(C)(C)CCC1CNC(C)(C)C
InChIInChI=1S/C16H29BrN4/c1-15(2,3)18-10-11-7-8-16(4,5)9-12(11)13-14(17)19-20-21(13)6/h11-12,18H,7-10H2,1-6H3
InChIKeyRBLMOUPEKVGUGM-UHFFFAOYSA-N
XLogP3.88
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(5-bromo-3-methyltriazol-4-yl)-4,4-dimethylcyclohexyl]methyl]-2-methylpropan-2-amine with MolForge

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Related Compounds

N-[[4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81031185
N-[[2-(5-bromo-3-methyltriazol-4-yl)cyclopentyl]methyl]propan-1-amine
CID 106463945
1-[2-(4-bromo-1-methylpyrazol-5-yl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 114667553
N-[(4,4-dimethyl-2-thiophen-2-ylcyclohexyl)methyl]-2-methylpropan-2-amine
CID 81030814
N-[[4,4-dimethyl-2-(2-methylphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81023531
N-[[2-(4-bromo-1-methylpyrazol-5-yl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 114666974
N-[[2-(4-bromo-1-propylpyrazol-5-yl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 114667257
N-[[2-(4-bromo-1-propylpyrazol-5-yl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 114666964
N-[[2-[(4-bromothiophen-2-yl)methyl]-4,4-dimethylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81022483
N-[[2-(4-chloro-1-methylpyrazol-5-yl)-4,4-dimethylcyclohexyl]methyl]cyclopropanamine
CID 114667577
[2-(4-bromo-1-ethylpyrazol-5-yl)-4,4-dimethylcyclohexyl]methanamine
CID 114666692
2-(5-bromo-3-methyltriazol-4-yl)-N-ethylcyclopentan-1-amine
CID 106463411

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-bromo-3-methyltriazol-4-yl)-4,4-dimethylcyclohexyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(5-bromo-3-methyltriazol-4-yl)-4,4-dimethylcyclohexyl]methyl]-2-methylpropan-2-amine (CID 106463997) is N-[[2-(5-bromo-3-methyltriazol-4-yl)-4,4-dimethylcyclohexyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(5-bromo-3-methyltriazol-4-yl)-4,4-dimethylcyclohexyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(5-bromo-3-methyltriazol-4-yl)-4,4-dimethylcyclohexyl]methyl]-2-methylpropan-2-amine is Cn1nnc(Br)c1C1CC(C)(C)CCC1CNC(C)(C)C.
What is the InChIKey of N-[[2-(5-bromo-3-methyltriazol-4-yl)-4,4-dimethylcyclohexyl]methyl]-2-methylpropan-2-amine?
The InChIKey is RBLMOUPEKVGUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29BrN4/c1-15(2,3)18-10-11-7-8-16(4,5)9-12(11)13-14(17)19-20-21(13)6/h11-12,18H,7-10H2,1-6H3.
What are the key properties of N-[[2-(5-bromo-3-methyltriazol-4-yl)-4,4-dimethylcyclohexyl]methyl]-2-methylpropan-2-amine?
N-[[2-(5-bromo-3-methyltriazol-4-yl)-4,4-dimethylcyclohexyl]methyl]-2-methylpropan-2-amine has a molecular weight of 357.34 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-bromo-3-methyltriazol-4-yl)-4,4-dimethylcyclohexyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 106463997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).