[1-(2-methylpropyl)cyclohex-3-en-1-yl]methanamine

C11H21N — CID 83695165

IUPAC[1-(2-methylpropyl)cyclohex-3-en-1-yl]methanamine
SMILESCC(C)CC1(CN)CC=CCC1
InChIInChI=1S/C11H21N/c1-10(2)8-11(9-12)6-4-3-5-7-11/h3-4,10H,5-9,12H2,1-2H3
InChIKeyPOEYNJZYLHGRBE-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.72
Rot. Bonds3

About [1-(2-methylpropyl)cyclohex-3-en-1-yl]methanamine

[1-(2-methylpropyl)cyclohex-3-en-1-yl]methanamine (PubChem CID 83695165) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is [1-(2-methylpropyl)cyclohex-3-en-1-yl]methanamine.

Molecular Properties

Compound Name[1-(2-methylpropyl)cyclohex-3-en-1-yl]methanamine
PubChem CID83695165
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name[1-(2-methylpropyl)cyclohex-3-en-1-yl]methanamine
SMILESCC(C)CC1(CN)CC=CCC1
InChIInChI=1S/C11H21N/c1-10(2)8-11(9-12)6-4-3-5-7-11/h3-4,10H,5-9,12H2,1-2H3
InChIKeyPOEYNJZYLHGRBE-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
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 [1-(2-methylpropyl)cyclohex-3-en-1-yl]methanamine?
The IUPAC name of [1-(2-methylpropyl)cyclohex-3-en-1-yl]methanamine (CID 83695165) is [1-(2-methylpropyl)cyclohex-3-en-1-yl]methanamine.
What is the SMILES notation for [1-(2-methylpropyl)cyclohex-3-en-1-yl]methanamine?
The canonical SMILES for [1-(2-methylpropyl)cyclohex-3-en-1-yl]methanamine is CC(C)CC1(CN)CC=CCC1.
What is the InChIKey of [1-(2-methylpropyl)cyclohex-3-en-1-yl]methanamine?
The InChIKey is POEYNJZYLHGRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-10(2)8-11(9-12)6-4-3-5-7-11/h3-4,10H,5-9,12H2,1-2H3.
What are the key properties of [1-(2-methylpropyl)cyclohex-3-en-1-yl]methanamine?
[1-(2-methylpropyl)cyclohex-3-en-1-yl]methanamine has a molecular weight of 167.30 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylpropyl)cyclohex-3-en-1-yl]methanamine is sourced from PubChem (CID 83695165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).