(3Z)-3-hept-6-enylidenecyclopentan-1-amine

C12H21N — CID 107010634

IUPAC(3Z)-3-hept-6-enylidenecyclopentan-1-amine
SMILESC=CCCCC/C=C1/CCC(N)C1
InChIInChI=1S/C12H21N/c1-2-3-4-5-6-7-11-8-9-12(13)10-11/h2,7,12H,1,3-6,8-10,13H2/b11-7-
InChIKeyUHYQPNADGCNKPU-XFFZJAGNSA-N
MW179.31 g/mol
LogP3.17
Rot. Bonds5

About (3Z)-3-hept-6-enylidenecyclopentan-1-amine

(3Z)-3-hept-6-enylidenecyclopentan-1-amine (PubChem CID 107010634) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (3Z)-3-hept-6-enylidenecyclopentan-1-amine.

Molecular Properties

Compound Name(3Z)-3-hept-6-enylidenecyclopentan-1-amine
PubChem CID107010634
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(3Z)-3-hept-6-enylidenecyclopentan-1-amine
SMILESC=CCCCC/C=C1/CCC(N)C1
InChIInChI=1S/C12H21N/c1-2-3-4-5-6-7-11-8-9-12(13)10-11/h2,7,12H,1,3-6,8-10,13H2/b11-7-
InChIKeyUHYQPNADGCNKPU-XFFZJAGNSA-N
XLogP3.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-hept-6-enylidenecyclopentan-1-amine?
The IUPAC name of (3Z)-3-hept-6-enylidenecyclopentan-1-amine (CID 107010634) is (3Z)-3-hept-6-enylidenecyclopentan-1-amine.
What is the SMILES notation for (3Z)-3-hept-6-enylidenecyclopentan-1-amine?
The canonical SMILES for (3Z)-3-hept-6-enylidenecyclopentan-1-amine is C=CCCCC/C=C1/CCC(N)C1.
What is the InChIKey of (3Z)-3-hept-6-enylidenecyclopentan-1-amine?
The InChIKey is UHYQPNADGCNKPU-XFFZJAGNSA-N. The full InChI is InChI=1S/C12H21N/c1-2-3-4-5-6-7-11-8-9-12(13)10-11/h2,7,12H,1,3-6,8-10,13H2/b11-7-.
What are the key properties of (3Z)-3-hept-6-enylidenecyclopentan-1-amine?
(3Z)-3-hept-6-enylidenecyclopentan-1-amine has a molecular weight of 179.31 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-hept-6-enylidenecyclopentan-1-amine is sourced from PubChem (CID 107010634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).