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

C13H27N — CID 81030355

IUPACN-[(2,4,4-trimethylcyclohexyl)methyl]propan-2-amine
SMILESCC(C)NCC1CCC(C)(C)CC1C
InChIInChI=1S/C13H27N/c1-10(2)14-9-12-6-7-13(4,5)8-11(12)3/h10-12,14H,6-9H2,1-5H3
InChIKeyMQVYALRGMPFMBW-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.45
Rot. Bonds3

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

N-[(2,4,4-trimethylcyclohexyl)methyl]propan-2-amine (PubChem CID 81030355) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-[(2,4,4-trimethylcyclohexyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2,4,4-trimethylcyclohexyl)methyl]propan-2-amine
PubChem CID81030355
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-[(2,4,4-trimethylcyclohexyl)methyl]propan-2-amine
SMILESCC(C)NCC1CCC(C)(C)CC1C
InChIInChI=1S/C13H27N/c1-10(2)14-9-12-6-7-13(4,5)8-11(12)3/h10-12,14H,6-9H2,1-5H3
InChIKeyMQVYALRGMPFMBW-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-[(2,4,4-trimethylcyclohexyl)methyl]propan-1-amine
CID 81031261
N-[(2-cyclopropyl-4,4-dimethylcyclohexyl)methyl]propan-2-amine
CID 81031172
N-[(4,4-dimethyl-2-pent-3-ynylcyclohexyl)methyl]propan-2-amine
CID 104813992
N-[[4,4-dimethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-2-amine
CID 116628213
N-[[4,4-dimethyl-2-[(1-methylimidazol-2-yl)methyl]cyclohexyl]methyl]propan-2-amine
CID 81031100
N-[[2-(4-fluoro-2-methylphenyl)-4,4-dimethylcyclohexyl]methyl]propan-2-amine
CID 81022840
N-[[2-(2-ethylpyrazol-3-yl)-4,4-dimethylcyclohexyl]methyl]propan-2-amine
CID 81031245
N-(cyclopentylmethyl)-2,4,4-trimethylcyclohexan-1-amine
CID 81321267
4-butan-2-yl-1,1,3-trimethylcyclohexane
CID 142412996
(2S)-2-[(2,4,4-trimethylcyclohexyl)amino]propan-1-ol
CID 103789174
N-(cyclopropylmethyl)-2,4,4-trimethylcyclohexan-1-amine
CID 79670640
1-cyclopropyl-N-[(2-methylcyclohexyl)methyl]propan-2-amine
CID 115713187

Frequently Asked Questions

What is the IUPAC name of N-[(2,4,4-trimethylcyclohexyl)methyl]propan-2-amine?
The IUPAC name of N-[(2,4,4-trimethylcyclohexyl)methyl]propan-2-amine (CID 81030355) is N-[(2,4,4-trimethylcyclohexyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2,4,4-trimethylcyclohexyl)methyl]propan-2-amine?
The canonical SMILES for N-[(2,4,4-trimethylcyclohexyl)methyl]propan-2-amine is CC(C)NCC1CCC(C)(C)CC1C.
What is the InChIKey of N-[(2,4,4-trimethylcyclohexyl)methyl]propan-2-amine?
The InChIKey is MQVYALRGMPFMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-10(2)14-9-12-6-7-13(4,5)8-11(12)3/h10-12,14H,6-9H2,1-5H3.
What are the key properties of N-[(2,4,4-trimethylcyclohexyl)methyl]propan-2-amine?
N-[(2,4,4-trimethylcyclohexyl)methyl]propan-2-amine has a molecular weight of 197.37 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4,4-trimethylcyclohexyl)methyl]propan-2-amine is sourced from PubChem (CID 81030355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).