3-cyclohexylprop-2-en-1-amine

C9H17N — CID 54463750

IUPAC3-cyclohexylprop-2-en-1-amine
SMILESNCC=CC1CCCCC1
InChIInChI=1S/C9H17N/c10-8-4-7-9-5-2-1-3-6-9/h4,7,9H,1-3,5-6,8,10H2
InChIKeyPQEXQHALYNSSCW-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.08
Rot. Bonds2

About 3-cyclohexylprop-2-en-1-amine

3-cyclohexylprop-2-en-1-amine (PubChem CID 54463750) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 3-cyclohexylprop-2-en-1-amine.

Molecular Properties

Compound Name3-cyclohexylprop-2-en-1-amine
PubChem CID54463750
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name3-cyclohexylprop-2-en-1-amine
SMILESNCC=CC1CCCCC1
InChIInChI=1S/C9H17N/c10-8-4-7-9-5-2-1-3-6-9/h4,7,9H,1-3,5-6,8,10H2
InChIKeyPQEXQHALYNSSCW-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
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-cyclohexylprop-2-en-1-amine?
The IUPAC name of 3-cyclohexylprop-2-en-1-amine (CID 54463750) is 3-cyclohexylprop-2-en-1-amine.
What is the SMILES notation for 3-cyclohexylprop-2-en-1-amine?
The canonical SMILES for 3-cyclohexylprop-2-en-1-amine is NCC=CC1CCCCC1.
What is the InChIKey of 3-cyclohexylprop-2-en-1-amine?
The InChIKey is PQEXQHALYNSSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c10-8-4-7-9-5-2-1-3-6-9/h4,7,9H,1-3,5-6,8,10H2.
What are the key properties of 3-cyclohexylprop-2-en-1-amine?
3-cyclohexylprop-2-en-1-amine has a molecular weight of 139.24 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylprop-2-en-1-amine is sourced from PubChem (CID 54463750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).