N,4-dimethyl-2-(2-methylbutyl)cyclohexan-1-amine

C13H27N — CID 62104395

IUPACN,4-dimethyl-2-(2-methylbutyl)cyclohexan-1-amine
SMILESCCC(C)CC1CC(C)CCC1NC
InChIInChI=1S/C13H27N/c1-5-10(2)8-12-9-11(3)6-7-13(12)14-4/h10-14H,5-9H2,1-4H3
InChIKeyZAQJAAHQDRBMIM-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.45
Rot. Bonds4

About N,4-dimethyl-2-(2-methylbutyl)cyclohexan-1-amine

N,4-dimethyl-2-(2-methylbutyl)cyclohexan-1-amine (PubChem CID 62104395) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N,4-dimethyl-2-(2-methylbutyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-2-(2-methylbutyl)cyclohexan-1-amine
PubChem CID62104395
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN,4-dimethyl-2-(2-methylbutyl)cyclohexan-1-amine
SMILESCCC(C)CC1CC(C)CCC1NC
InChIInChI=1S/C13H27N/c1-5-10(2)8-12-9-11(3)6-7-13(12)14-4/h10-14H,5-9H2,1-4H3
InChIKeyZAQJAAHQDRBMIM-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

1-chloro-4-methyl-2-(2-methylbutyl)cyclohexane
CID 63460977
2-[[ethyl(propan-2-yl)amino]methyl]-N,4-dimethylcyclohexan-1-amine
CID 62614852
N-methyl-2-(2-methylpentyl)cyclopropan-1-amine
CID 163758904
N,4-dimethyl-2-nonylcyclohexan-1-amine
CID 63403610
4-tert-butyl-N-methyl-2-(2-methylpentyl)cyclohexan-1-amine
CID 63401489
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine
CID 62611562
2-[[ethyl(2-ethylbutyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine
CID 63495552
1-methyl-2-(2-methylbutyl)cyclopropane
CID 91076617
2-(2-methylbutyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63401154
N,4-dimethyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-amine
CID 62775719
N-methyl-2-(2-methylpentyl)cyclohexan-1-amine
CID 62267127
N,4-dimethyl-2-[[methyl(pentyl)amino]methyl]cyclohexan-1-amine
CID 62615388

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-(2-methylbutyl)cyclohexan-1-amine?
The IUPAC name of N,4-dimethyl-2-(2-methylbutyl)cyclohexan-1-amine (CID 62104395) is N,4-dimethyl-2-(2-methylbutyl)cyclohexan-1-amine.
What is the SMILES notation for N,4-dimethyl-2-(2-methylbutyl)cyclohexan-1-amine?
The canonical SMILES for N,4-dimethyl-2-(2-methylbutyl)cyclohexan-1-amine is CCC(C)CC1CC(C)CCC1NC.
What is the InChIKey of N,4-dimethyl-2-(2-methylbutyl)cyclohexan-1-amine?
The InChIKey is ZAQJAAHQDRBMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-5-10(2)8-12-9-11(3)6-7-13(12)14-4/h10-14H,5-9H2,1-4H3.
What are the key properties of N,4-dimethyl-2-(2-methylbutyl)cyclohexan-1-amine?
N,4-dimethyl-2-(2-methylbutyl)cyclohexan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-(2-methylbutyl)cyclohexan-1-amine is sourced from PubChem (CID 62104395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).