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

C13H27N — CID 63001387

IUPAC2,2-dimethyl-N-[(4-methylcyclohexyl)methyl]propan-1-amine
SMILESCC1CCC(CNCC(C)(C)C)CC1
InChIInChI=1S/C13H27N/c1-11-5-7-12(8-6-11)9-14-10-13(2,3)4/h11-12,14H,5-10H2,1-4H3
InChIKeyOLHPMCIYBBWJCC-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.45
Rot. Bonds3

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

2,2-dimethyl-N-[(4-methylcyclohexyl)methyl]propan-1-amine (PubChem CID 63001387) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(4-methylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(4-methylcyclohexyl)methyl]propan-1-amine
PubChem CID63001387
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name2,2-dimethyl-N-[(4-methylcyclohexyl)methyl]propan-1-amine
SMILESCC1CCC(CNCC(C)(C)C)CC1
InChIInChI=1S/C13H27N/c1-11-5-7-12(8-6-11)9-14-10-13(2,3)4/h11-12,14H,5-10H2,1-4H3
InChIKeyOLHPMCIYBBWJCC-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

N-(cyclopropylmethyl)-1-(4-methylcyclohexyl)methanamine
CID 63001385
N-[(4-tert-butylcyclohexyl)methyl]-2,2-dimethylpropan-1-amine
CID 104574982
1-N-(cyclopropylmethyl)-2-methylpropane-1,2-diamine
CID 61264893
tert-butyl N-[2-methyl-1-[(4-methylcyclohexyl)methylamino]propan-2-yl]carbamate
CID 107249903
2-ethyl-2-[[(4-methylcyclohexyl)methylamino]methyl]butanoic acid
CID 122128807
tert-butyl 2-[(4-methylcyclohexyl)methylamino]acetate
CID 63243388
2,2-dimethyl-N-(thiolan-3-ylmethyl)propan-1-amine
CID 107131923
1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 63243077
3-[(4-methylcyclohexyl)methylamino]propan-1-ol
CID 63243568
N-tert-butyl-3-[(4-methylcyclohexyl)methylamino]propanamide
CID 112688557
N-[(4-methylcyclohexyl)methyl]decan-1-amine
CID 63490905
N-(3-cyclopropylpropyl)-2,2-dimethylpropan-1-amine
CID 115639400

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(4-methylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[(4-methylcyclohexyl)methyl]propan-1-amine (CID 63001387) is 2,2-dimethyl-N-[(4-methylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(4-methylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[(4-methylcyclohexyl)methyl]propan-1-amine is CC1CCC(CNCC(C)(C)C)CC1.
What is the InChIKey of 2,2-dimethyl-N-[(4-methylcyclohexyl)methyl]propan-1-amine?
The InChIKey is OLHPMCIYBBWJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-11-5-7-12(8-6-11)9-14-10-13(2,3)4/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-[(4-methylcyclohexyl)methyl]propan-1-amine?
2,2-dimethyl-N-[(4-methylcyclohexyl)methyl]propan-1-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 2,2-dimethyl-N-[(4-methylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 63001387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).