4,5-bis(prop-2-enyl)non-1-en-4-amine

C15H27N — CID 87204498

IUPAC4,5-bis(prop-2-enyl)non-1-en-4-amine
SMILESC=CCC(CCCC)C(N)(CC=C)CC=C
InChIInChI=1S/C15H27N/c1-5-9-11-14(10-6-2)15(16,12-7-3)13-8-4/h6-8,14H,2-5,9-13,16H2,1H3
InChIKeyZNFNDVGZYYOFDC-UHFFFAOYSA-N
MW221.39 g/mol
LogP4.22
Rot. Bonds10

About 4,5-bis(prop-2-enyl)non-1-en-4-amine

4,5-bis(prop-2-enyl)non-1-en-4-amine (PubChem CID 87204498) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 4,5-bis(prop-2-enyl)non-1-en-4-amine.

Molecular Properties

Compound Name4,5-bis(prop-2-enyl)non-1-en-4-amine
PubChem CID87204498
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name4,5-bis(prop-2-enyl)non-1-en-4-amine
SMILESC=CCC(CCCC)C(N)(CC=C)CC=C
InChIInChI=1S/C15H27N/c1-5-9-11-14(10-6-2)15(16,12-7-3)13-8-4/h6-8,14H,2-5,9-13,16H2,1H3
InChIKeyZNFNDVGZYYOFDC-UHFFFAOYSA-N
XLogP4.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.22
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 4,5-bis(prop-2-enyl)non-1-en-4-amine?
The IUPAC name of 4,5-bis(prop-2-enyl)non-1-en-4-amine (CID 87204498) is 4,5-bis(prop-2-enyl)non-1-en-4-amine.
What is the SMILES notation for 4,5-bis(prop-2-enyl)non-1-en-4-amine?
The canonical SMILES for 4,5-bis(prop-2-enyl)non-1-en-4-amine is C=CCC(CCCC)C(N)(CC=C)CC=C.
What is the InChIKey of 4,5-bis(prop-2-enyl)non-1-en-4-amine?
The InChIKey is ZNFNDVGZYYOFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-5-9-11-14(10-6-2)15(16,12-7-3)13-8-4/h6-8,14H,2-5,9-13,16H2,1H3.
What are the key properties of 4,5-bis(prop-2-enyl)non-1-en-4-amine?
4,5-bis(prop-2-enyl)non-1-en-4-amine has a molecular weight of 221.39 g/mol, XLogP of 4.22, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(prop-2-enyl)non-1-en-4-amine is sourced from PubChem (CID 87204498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).