2-methyl-N-[(2,4,4-trimethylcyclohexyl)methyl]propan-1-amine

C14H29N — CID 81031261

IUPAC2-methyl-N-[(2,4,4-trimethylcyclohexyl)methyl]propan-1-amine
SMILESCC(C)CNCC1CCC(C)(C)CC1C
InChIInChI=1S/C14H29N/c1-11(2)9-15-10-13-6-7-14(4,5)8-12(13)3/h11-13,15H,6-10H2,1-5H3
InChIKeyNNIXAMVYZCEJOT-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.69
Rot. Bonds4

About 2-methyl-N-[(2,4,4-trimethylcyclohexyl)methyl]propan-1-amine

2-methyl-N-[(2,4,4-trimethylcyclohexyl)methyl]propan-1-amine (PubChem CID 81031261) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 2-methyl-N-[(2,4,4-trimethylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(2,4,4-trimethylcyclohexyl)methyl]propan-1-amine
PubChem CID81031261
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name2-methyl-N-[(2,4,4-trimethylcyclohexyl)methyl]propan-1-amine
SMILESCC(C)CNCC1CCC(C)(C)CC1C
InChIInChI=1S/C14H29N/c1-11(2)9-15-10-13-6-7-14(4,5)8-12(13)3/h11-13,15H,6-10H2,1-5H3
InChIKeyNNIXAMVYZCEJOT-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4,4-dimethyl-2-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81030587
N-[(2,4,4-trimethylcyclohexyl)methyl]propan-2-amine
CID 81030355
2-methyl-N-[(2-methylcyclopropyl)methyl]propan-1-amine
CID 60985078
N-[[4,4-dimethyl-2-(pyridin-4-ylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81022215
N-[[2-(5-chlorothiophen-2-yl)-4,4-dimethylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81037090
N-[[2-(3-chlorothiophen-2-yl)-4,4-dimethylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 107361308
N-[[2-(4,4-dimethylazepan-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 81004620
2-methyl-N-[[2-(2-methylprop-2-enyl)cyclobutyl]methyl]propan-1-amine
CID 81021977
2-methyl-N-[(5,5,7-trimethylspiro[2.4]heptan-2-yl)methyl]propan-1-amine
CID 106664101
2-methyl-N-[(2-methyloxan-3-yl)methyl]propan-1-amine
CID 79365304
5,5-dimethyl-2-(2-methylpropyl)cyclohexan-1-ol
CID 134223783
N-[(7,7-dimethylspiro[2.4]heptan-2-yl)methyl]-2-methylpropan-1-amine
CID 79863729

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2,4,4-trimethylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(2,4,4-trimethylcyclohexyl)methyl]propan-1-amine (CID 81031261) is 2-methyl-N-[(2,4,4-trimethylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(2,4,4-trimethylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(2,4,4-trimethylcyclohexyl)methyl]propan-1-amine is CC(C)CNCC1CCC(C)(C)CC1C.
What is the InChIKey of 2-methyl-N-[(2,4,4-trimethylcyclohexyl)methyl]propan-1-amine?
The InChIKey is NNIXAMVYZCEJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-11(2)9-15-10-13-6-7-14(4,5)8-12(13)3/h11-13,15H,6-10H2,1-5H3.
What are the key properties of 2-methyl-N-[(2,4,4-trimethylcyclohexyl)methyl]propan-1-amine?
2-methyl-N-[(2,4,4-trimethylcyclohexyl)methyl]propan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2,4,4-trimethylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 81031261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).