(3-ethenylcyclohexyl)methanamine

C9H17N — CID 20723357

IUPAC(3-ethenylcyclohexyl)methanamine
SMILESC=CC1CCCC(CN)C1
InChIInChI=1S/C9H17N/c1-2-8-4-3-5-9(6-8)7-10/h2,8-9H,1,3-7,10H2
InChIKeyVPZREFUNLYRUEI-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.94
Rot. Bonds2

About (3-ethenylcyclohexyl)methanamine

(3-ethenylcyclohexyl)methanamine (PubChem CID 20723357) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (3-ethenylcyclohexyl)methanamine.

Molecular Properties

Compound Name(3-ethenylcyclohexyl)methanamine
PubChem CID20723357
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(3-ethenylcyclohexyl)methanamine
SMILESC=CC1CCCC(CN)C1
InChIInChI=1S/C9H17N/c1-2-8-4-3-5-9(6-8)7-10/h2,8-9H,1,3-7,10H2
InChIKeyVPZREFUNLYRUEI-UHFFFAOYSA-N
XLogP1.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.94
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-ethenylcyclohexyl)methanamine?
The IUPAC name of (3-ethenylcyclohexyl)methanamine (CID 20723357) is (3-ethenylcyclohexyl)methanamine.
What is the SMILES notation for (3-ethenylcyclohexyl)methanamine?
The canonical SMILES for (3-ethenylcyclohexyl)methanamine is C=CC1CCCC(CN)C1.
What is the InChIKey of (3-ethenylcyclohexyl)methanamine?
The InChIKey is VPZREFUNLYRUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-2-8-4-3-5-9(6-8)7-10/h2,8-9H,1,3-7,10H2.
What are the key properties of (3-ethenylcyclohexyl)methanamine?
(3-ethenylcyclohexyl)methanamine has a molecular weight of 139.24 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethenylcyclohexyl)methanamine is sourced from PubChem (CID 20723357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).