3-(2-methylidenebutyl)cyclohexan-1-amine

C11H21N — CID 66039279

IUPAC3-(2-methylidenebutyl)cyclohexan-1-amine
SMILESC=C(CC)CC1CCCC(N)C1
InChIInChI=1S/C11H21N/c1-3-9(2)7-10-5-4-6-11(12)8-10/h10-11H,2-8,12H2,1H3
InChIKeyAKOHDCCGNJMBFN-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.86
Rot. Bonds3

About 3-(2-methylidenebutyl)cyclohexan-1-amine

3-(2-methylidenebutyl)cyclohexan-1-amine (PubChem CID 66039279) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 3-(2-methylidenebutyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-(2-methylidenebutyl)cyclohexan-1-amine
PubChem CID66039279
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name3-(2-methylidenebutyl)cyclohexan-1-amine
SMILESC=C(CC)CC1CCCC(N)C1
InChIInChI=1S/C11H21N/c1-3-9(2)7-10-5-4-6-11(12)8-10/h10-11H,2-8,12H2,1H3
InChIKeyAKOHDCCGNJMBFN-UHFFFAOYSA-N
XLogP2.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylidenebutyl)cyclohexan-1-amine?
The IUPAC name of 3-(2-methylidenebutyl)cyclohexan-1-amine (CID 66039279) is 3-(2-methylidenebutyl)cyclohexan-1-amine.
What is the SMILES notation for 3-(2-methylidenebutyl)cyclohexan-1-amine?
The canonical SMILES for 3-(2-methylidenebutyl)cyclohexan-1-amine is C=C(CC)CC1CCCC(N)C1.
What is the InChIKey of 3-(2-methylidenebutyl)cyclohexan-1-amine?
The InChIKey is AKOHDCCGNJMBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-3-9(2)7-10-5-4-6-11(12)8-10/h10-11H,2-8,12H2,1H3.
What are the key properties of 3-(2-methylidenebutyl)cyclohexan-1-amine?
3-(2-methylidenebutyl)cyclohexan-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylidenebutyl)cyclohexan-1-amine is sourced from PubChem (CID 66039279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).