4,4-bis(prop-2-enyl)hept-6-en-1-amine

C13H23N — CID 87096388

IUPAC4,4-bis(prop-2-enyl)hept-6-en-1-amine
SMILESC=CCC(CC=C)(CC=C)CCCN
InChIInChI=1S/C13H23N/c1-4-8-13(9-5-2,10-6-3)11-7-12-14/h4-6H,1-3,7-12,14H2
InChIKeyPVHPTNLEMGIUOM-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.44
Rot. Bonds9

About 4,4-bis(prop-2-enyl)hept-6-en-1-amine

4,4-bis(prop-2-enyl)hept-6-en-1-amine (PubChem CID 87096388) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 4,4-bis(prop-2-enyl)hept-6-en-1-amine.

Molecular Properties

Compound Name4,4-bis(prop-2-enyl)hept-6-en-1-amine
PubChem CID87096388
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name4,4-bis(prop-2-enyl)hept-6-en-1-amine
SMILESC=CCC(CC=C)(CC=C)CCCN
InChIInChI=1S/C13H23N/c1-4-8-13(9-5-2,10-6-3)11-7-12-14/h4-6H,1-3,7-12,14H2
InChIKeyPVHPTNLEMGIUOM-UHFFFAOYSA-N
XLogP3.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.44
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 4,4-bis(prop-2-enyl)hept-6-en-1-amine?
The IUPAC name of 4,4-bis(prop-2-enyl)hept-6-en-1-amine (CID 87096388) is 4,4-bis(prop-2-enyl)hept-6-en-1-amine.
What is the SMILES notation for 4,4-bis(prop-2-enyl)hept-6-en-1-amine?
The canonical SMILES for 4,4-bis(prop-2-enyl)hept-6-en-1-amine is C=CCC(CC=C)(CC=C)CCCN.
What is the InChIKey of 4,4-bis(prop-2-enyl)hept-6-en-1-amine?
The InChIKey is PVHPTNLEMGIUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-4-8-13(9-5-2,10-6-3)11-7-12-14/h4-6H,1-3,7-12,14H2.
What are the key properties of 4,4-bis(prop-2-enyl)hept-6-en-1-amine?
4,4-bis(prop-2-enyl)hept-6-en-1-amine has a molecular weight of 193.33 g/mol, XLogP of 3.44, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(prop-2-enyl)hept-6-en-1-amine is sourced from PubChem (CID 87096388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).