(1Z,4Z,5Z)-4-ethylidene-2-(3-ethyliminopropyl)-6-methyl-N-prop-2-enylocta-1,5-dien-1-amine

C19H32N2 — CID 138528326

IUPAC(1Z,4Z,5Z)-4-ethylidene-2-(3-ethyliminopropyl)-6-methyl-N-prop-2-enylocta-1,5-dien-1-amine
SMILESC=CCN/C=C(/CC/C=N/CC)CC(/C=C(/C)CC)=C/C
InChIInChI=1S/C19H32N2/c1-6-12-21-16-19(11-10-13-20-9-4)15-18(8-3)14-17(5)7-2/h6,8,13-14,16,21H,1,7,9-12,15H2,2-5H3/b17-14-,18-8+,19-16-,20-13+
InChIKeyXFFJKYSSDHYVHR-NNPGQRNASA-N
MW288.48 g/mol
LogP5.21
Rot. Bonds11

About (1Z,4Z,5Z)-4-ethylidene-2-(3-ethyliminopropyl)-6-methyl-N-prop-2-enylocta-1,5-dien-1-amine

(1Z,4Z,5Z)-4-ethylidene-2-(3-ethyliminopropyl)-6-methyl-N-prop-2-enylocta-1,5-dien-1-amine (PubChem CID 138528326) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is (1Z,4Z,5Z)-4-ethylidene-2-(3-ethyliminopropyl)-6-methyl-N-prop-2-enylocta-1,5-dien-1-amine.

Molecular Properties

Compound Name(1Z,4Z,5Z)-4-ethylidene-2-(3-ethyliminopropyl)-6-methyl-N-prop-2-enylocta-1,5-dien-1-amine
PubChem CID138528326
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name(1Z,4Z,5Z)-4-ethylidene-2-(3-ethyliminopropyl)-6-methyl-N-prop-2-enylocta-1,5-dien-1-amine
SMILESC=CCN/C=C(/CC/C=N/CC)CC(/C=C(/C)CC)=C/C
InChIInChI=1S/C19H32N2/c1-6-12-21-16-19(11-10-13-20-9-4)15-18(8-3)14-17(5)7-2/h6,8,13-14,16,21H,1,7,9-12,15H2,2-5H3/b17-14-,18-8+,19-16-,20-13+
InChIKeyXFFJKYSSDHYVHR-NNPGQRNASA-N
XLogP5.21
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z,4Z,5Z)-4-ethylidene-2-(3-ethyliminopropyl)-6-methyl-N-prop-2-enylocta-1,5-dien-1-amine?
The IUPAC name of (1Z,4Z,5Z)-4-ethylidene-2-(3-ethyliminopropyl)-6-methyl-N-prop-2-enylocta-1,5-dien-1-amine (CID 138528326) is (1Z,4Z,5Z)-4-ethylidene-2-(3-ethyliminopropyl)-6-methyl-N-prop-2-enylocta-1,5-dien-1-amine.
What is the SMILES notation for (1Z,4Z,5Z)-4-ethylidene-2-(3-ethyliminopropyl)-6-methyl-N-prop-2-enylocta-1,5-dien-1-amine?
The canonical SMILES for (1Z,4Z,5Z)-4-ethylidene-2-(3-ethyliminopropyl)-6-methyl-N-prop-2-enylocta-1,5-dien-1-amine is C=CCN/C=C(/CC/C=N/CC)CC(/C=C(/C)CC)=C/C.
What is the InChIKey of (1Z,4Z,5Z)-4-ethylidene-2-(3-ethyliminopropyl)-6-methyl-N-prop-2-enylocta-1,5-dien-1-amine?
The InChIKey is XFFJKYSSDHYVHR-NNPGQRNASA-N. The full InChI is InChI=1S/C19H32N2/c1-6-12-21-16-19(11-10-13-20-9-4)15-18(8-3)14-17(5)7-2/h6,8,13-14,16,21H,1,7,9-12,15H2,2-5H3/b17-14-,18-8+,19-16-,20-13+.
What are the key properties of (1Z,4Z,5Z)-4-ethylidene-2-(3-ethyliminopropyl)-6-methyl-N-prop-2-enylocta-1,5-dien-1-amine?
(1Z,4Z,5Z)-4-ethylidene-2-(3-ethyliminopropyl)-6-methyl-N-prop-2-enylocta-1,5-dien-1-amine has a molecular weight of 288.48 g/mol, XLogP of 5.21, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,4Z,5Z)-4-ethylidene-2-(3-ethyliminopropyl)-6-methyl-N-prop-2-enylocta-1,5-dien-1-amine is sourced from PubChem (CID 138528326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).