N-(2-methylbutyl)cyclohexanamine

C11H23N — CID 43200591

IUPACN-(2-methylbutyl)cyclohexanamine
SMILESCCC(C)CNC1CCCCC1
InChIInChI=1S/C11H23N/c1-3-10(2)9-12-11-7-5-4-6-8-11/h10-12H,3-9H2,1-2H3
InChIKeyWKCVIRCUDKMANY-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.95
Rot. Bonds4

About N-(2-methylbutyl)cyclohexanamine

N-(2-methylbutyl)cyclohexanamine (PubChem CID 43200591) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N-(2-methylbutyl)cyclohexanamine.

Molecular Properties

Compound NameN-(2-methylbutyl)cyclohexanamine
PubChem CID43200591
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN-(2-methylbutyl)cyclohexanamine
SMILESCCC(C)CNC1CCCCC1
InChIInChI=1S/C11H23N/c1-3-10(2)9-12-11-7-5-4-6-8-11/h10-12H,3-9H2,1-2H3
InChIKeyWKCVIRCUDKMANY-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutyl)cyclohexanamine?
The IUPAC name of N-(2-methylbutyl)cyclohexanamine (CID 43200591) is N-(2-methylbutyl)cyclohexanamine.
What is the SMILES notation for N-(2-methylbutyl)cyclohexanamine?
The canonical SMILES for N-(2-methylbutyl)cyclohexanamine is CCC(C)CNC1CCCCC1.
What is the InChIKey of N-(2-methylbutyl)cyclohexanamine?
The InChIKey is WKCVIRCUDKMANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-3-10(2)9-12-11-7-5-4-6-8-11/h10-12H,3-9H2,1-2H3.
What are the key properties of N-(2-methylbutyl)cyclohexanamine?
N-(2-methylbutyl)cyclohexanamine has a molecular weight of 169.31 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutyl)cyclohexanamine is sourced from PubChem (CID 43200591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).