3-cyclohept-4-en-1-ylpropan-1-amine

C10H19N — CID 22056886

IUPAC3-cyclohept-4-en-1-ylpropan-1-amine
SMILESNCCCC1CCC=CCC1
InChIInChI=1S/C10H19N/c11-9-5-8-10-6-3-1-2-4-7-10/h1-2,10H,3-9,11H2
InChIKeyWMUWRTBZELKABT-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.47
Rot. Bonds3

About 3-cyclohept-4-en-1-ylpropan-1-amine

3-cyclohept-4-en-1-ylpropan-1-amine (PubChem CID 22056886) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 3-cyclohept-4-en-1-ylpropan-1-amine.

Molecular Properties

Compound Name3-cyclohept-4-en-1-ylpropan-1-amine
PubChem CID22056886
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name3-cyclohept-4-en-1-ylpropan-1-amine
SMILESNCCCC1CCC=CCC1
InChIInChI=1S/C10H19N/c11-9-5-8-10-6-3-1-2-4-7-10/h1-2,10H,3-9,11H2
InChIKeyWMUWRTBZELKABT-UHFFFAOYSA-N
XLogP2.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.47
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-cyclohept-4-en-1-ylpropan-1-amine?
The IUPAC name of 3-cyclohept-4-en-1-ylpropan-1-amine (CID 22056886) is 3-cyclohept-4-en-1-ylpropan-1-amine.
What is the SMILES notation for 3-cyclohept-4-en-1-ylpropan-1-amine?
The canonical SMILES for 3-cyclohept-4-en-1-ylpropan-1-amine is NCCCC1CCC=CCC1.
What is the InChIKey of 3-cyclohept-4-en-1-ylpropan-1-amine?
The InChIKey is WMUWRTBZELKABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c11-9-5-8-10-6-3-1-2-4-7-10/h1-2,10H,3-9,11H2.
What are the key properties of 3-cyclohept-4-en-1-ylpropan-1-amine?
3-cyclohept-4-en-1-ylpropan-1-amine has a molecular weight of 153.27 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohept-4-en-1-ylpropan-1-amine is sourced from PubChem (CID 22056886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).