4,5-bis(prop-2-enyl)-5-propylocta-1,7-dien-4-amine

C17H29N — CID 87405810

IUPAC4,5-bis(prop-2-enyl)-5-propylocta-1,7-dien-4-amine
SMILESC=CCC(N)(CC=C)C(CC=C)(CC=C)CCC
InChIInChI=1S/C17H29N/c1-6-11-16(12-7-2,13-8-3)17(18,14-9-4)15-10-5/h6-7,9-10H,1-2,4-5,8,11-15,18H2,3H3
InChIKeyUTWNMLOFXSVHEU-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.77
Rot. Bonds11

About 4,5-bis(prop-2-enyl)-5-propylocta-1,7-dien-4-amine

4,5-bis(prop-2-enyl)-5-propylocta-1,7-dien-4-amine (PubChem CID 87405810) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 4,5-bis(prop-2-enyl)-5-propylocta-1,7-dien-4-amine.

Molecular Properties

Compound Name4,5-bis(prop-2-enyl)-5-propylocta-1,7-dien-4-amine
PubChem CID87405810
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name4,5-bis(prop-2-enyl)-5-propylocta-1,7-dien-4-amine
SMILESC=CCC(N)(CC=C)C(CC=C)(CC=C)CCC
InChIInChI=1S/C17H29N/c1-6-11-16(12-7-2,13-8-3)17(18,14-9-4)15-10-5/h6-7,9-10H,1-2,4-5,8,11-15,18H2,3H3
InChIKeyUTWNMLOFXSVHEU-UHFFFAOYSA-N
XLogP4.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.77
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)-5-propylocta-1,7-dien-4-amine?
The IUPAC name of 4,5-bis(prop-2-enyl)-5-propylocta-1,7-dien-4-amine (CID 87405810) is 4,5-bis(prop-2-enyl)-5-propylocta-1,7-dien-4-amine.
What is the SMILES notation for 4,5-bis(prop-2-enyl)-5-propylocta-1,7-dien-4-amine?
The canonical SMILES for 4,5-bis(prop-2-enyl)-5-propylocta-1,7-dien-4-amine is C=CCC(N)(CC=C)C(CC=C)(CC=C)CCC.
What is the InChIKey of 4,5-bis(prop-2-enyl)-5-propylocta-1,7-dien-4-amine?
The InChIKey is UTWNMLOFXSVHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-6-11-16(12-7-2,13-8-3)17(18,14-9-4)15-10-5/h6-7,9-10H,1-2,4-5,8,11-15,18H2,3H3.
What are the key properties of 4,5-bis(prop-2-enyl)-5-propylocta-1,7-dien-4-amine?
4,5-bis(prop-2-enyl)-5-propylocta-1,7-dien-4-amine has a molecular weight of 247.43 g/mol, XLogP of 4.77, 11 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)-5-propylocta-1,7-dien-4-amine is sourced from PubChem (CID 87405810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).