3-(cyclohexen-1-yl)propan-1-amine

C9H17N — CID 13247222

IUPAC3-(cyclohexen-1-yl)propan-1-amine
SMILESNCCCC1=CCCCC1
InChIInChI=1S/C9H17N/c10-8-4-7-9-5-2-1-3-6-9/h5H,1-4,6-8,10H2
InChIKeyCCMDOFYWBRTPGR-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.23
Rot. Bonds3

About 3-(cyclohexen-1-yl)propan-1-amine

3-(cyclohexen-1-yl)propan-1-amine (PubChem CID 13247222) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)propan-1-amine
PubChem CID13247222
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name3-(cyclohexen-1-yl)propan-1-amine
SMILESNCCCC1=CCCCC1
InChIInChI=1S/C9H17N/c10-8-4-7-9-5-2-1-3-6-9/h5H,1-4,6-8,10H2
InChIKeyCCMDOFYWBRTPGR-UHFFFAOYSA-N
XLogP2.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.23
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-(cyclohexen-1-yl)propan-1-amine?
The IUPAC name of 3-(cyclohexen-1-yl)propan-1-amine (CID 13247222) is 3-(cyclohexen-1-yl)propan-1-amine.
What is the SMILES notation for 3-(cyclohexen-1-yl)propan-1-amine?
The canonical SMILES for 3-(cyclohexen-1-yl)propan-1-amine is NCCCC1=CCCCC1.
What is the InChIKey of 3-(cyclohexen-1-yl)propan-1-amine?
The InChIKey is CCMDOFYWBRTPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c10-8-4-7-9-5-2-1-3-6-9/h5H,1-4,6-8,10H2.
What are the key properties of 3-(cyclohexen-1-yl)propan-1-amine?
3-(cyclohexen-1-yl)propan-1-amine has a molecular weight of 139.24 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)propan-1-amine is sourced from PubChem (CID 13247222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).