3-[(Z)-but-1-enyl]-2-methylcyclohexan-1-amine

C11H21N — CID 88992987

IUPAC3-[(Z)-but-1-enyl]-2-methylcyclohexan-1-amine
SMILESCC/C=C\C1CCCC(N)C1C
InChIInChI=1S/C11H21N/c1-3-4-6-10-7-5-8-11(12)9(10)2/h4,6,9-11H,3,5,7-8,12H2,1-2H3/b6-4-
InChIKeyKUMZPOLBXXCIMQ-XQRVVYSFSA-N
MW167.30 g/mol
LogP2.72
Rot. Bonds2

About 3-[(Z)-but-1-enyl]-2-methylcyclohexan-1-amine

3-[(Z)-but-1-enyl]-2-methylcyclohexan-1-amine (PubChem CID 88992987) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 3-[(Z)-but-1-enyl]-2-methylcyclohexan-1-amine.

Molecular Properties

Compound Name3-[(Z)-but-1-enyl]-2-methylcyclohexan-1-amine
PubChem CID88992987
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name3-[(Z)-but-1-enyl]-2-methylcyclohexan-1-amine
SMILESCC/C=C\C1CCCC(N)C1C
InChIInChI=1S/C11H21N/c1-3-4-6-10-7-5-8-11(12)9(10)2/h4,6,9-11H,3,5,7-8,12H2,1-2H3/b6-4-
InChIKeyKUMZPOLBXXCIMQ-XQRVVYSFSA-N
XLogP2.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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 3-[(Z)-but-1-enyl]-2-methylcyclohexan-1-amine?
The IUPAC name of 3-[(Z)-but-1-enyl]-2-methylcyclohexan-1-amine (CID 88992987) is 3-[(Z)-but-1-enyl]-2-methylcyclohexan-1-amine.
What is the SMILES notation for 3-[(Z)-but-1-enyl]-2-methylcyclohexan-1-amine?
The canonical SMILES for 3-[(Z)-but-1-enyl]-2-methylcyclohexan-1-amine is CC/C=C\C1CCCC(N)C1C.
What is the InChIKey of 3-[(Z)-but-1-enyl]-2-methylcyclohexan-1-amine?
The InChIKey is KUMZPOLBXXCIMQ-XQRVVYSFSA-N. The full InChI is InChI=1S/C11H21N/c1-3-4-6-10-7-5-8-11(12)9(10)2/h4,6,9-11H,3,5,7-8,12H2,1-2H3/b6-4-.
What are the key properties of 3-[(Z)-but-1-enyl]-2-methylcyclohexan-1-amine?
3-[(Z)-but-1-enyl]-2-methylcyclohexan-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-but-1-enyl]-2-methylcyclohexan-1-amine is sourced from PubChem (CID 88992987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).