(1Z,4Z)-7-ethenylimino-N,5-dimethyl-1-(methylideneamino)-N-propylocta-1,4-dien-1-amine

C16H27N3 — CID 167244658

IUPAC(1Z,4Z)-7-ethenylimino-N,5-dimethyl-1-(methylideneamino)-N-propylocta-1,4-dien-1-amine
SMILESC=C/N=C(\C)C/C(C)=C\C/C=C(\N=C)N(C)CCC
InChIInChI=1S/C16H27N3/c1-7-12-19(6)16(17-5)11-9-10-14(3)13-15(4)18-8-2/h8,10-11H,2,5,7,9,12-13H2,1,3-4,6H3/b14-10-,16-11+,18-15+
InChIKeyHNANAWCNKXROSU-LAQJMSQMSA-N
MW261.41 g/mol
LogP4.20
Rot. Bonds9

About (1Z,4Z)-7-ethenylimino-N,5-dimethyl-1-(methylideneamino)-N-propylocta-1,4-dien-1-amine

(1Z,4Z)-7-ethenylimino-N,5-dimethyl-1-(methylideneamino)-N-propylocta-1,4-dien-1-amine (PubChem CID 167244658) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is (1Z,4Z)-7-ethenylimino-N,5-dimethyl-1-(methylideneamino)-N-propylocta-1,4-dien-1-amine.

Molecular Properties

Compound Name(1Z,4Z)-7-ethenylimino-N,5-dimethyl-1-(methylideneamino)-N-propylocta-1,4-dien-1-amine
PubChem CID167244658
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name(1Z,4Z)-7-ethenylimino-N,5-dimethyl-1-(methylideneamino)-N-propylocta-1,4-dien-1-amine
SMILESC=C/N=C(\C)C/C(C)=C\C/C=C(\N=C)N(C)CCC
InChIInChI=1S/C16H27N3/c1-7-12-19(6)16(17-5)11-9-10-14(3)13-15(4)18-8-2/h8,10-11H,2,5,7,9,12-13H2,1,3-4,6H3/b14-10-,16-11+,18-15+
InChIKeyHNANAWCNKXROSU-LAQJMSQMSA-N
XLogP4.20
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,4Z)-7-ethenylimino-N,5-dimethyl-1-(methylideneamino)-N-propylocta-1,4-dien-1-amine?
The IUPAC name of (1Z,4Z)-7-ethenylimino-N,5-dimethyl-1-(methylideneamino)-N-propylocta-1,4-dien-1-amine (CID 167244658) is (1Z,4Z)-7-ethenylimino-N,5-dimethyl-1-(methylideneamino)-N-propylocta-1,4-dien-1-amine.
What is the SMILES notation for (1Z,4Z)-7-ethenylimino-N,5-dimethyl-1-(methylideneamino)-N-propylocta-1,4-dien-1-amine?
The canonical SMILES for (1Z,4Z)-7-ethenylimino-N,5-dimethyl-1-(methylideneamino)-N-propylocta-1,4-dien-1-amine is C=C/N=C(\C)C/C(C)=C\C/C=C(\N=C)N(C)CCC.
What is the InChIKey of (1Z,4Z)-7-ethenylimino-N,5-dimethyl-1-(methylideneamino)-N-propylocta-1,4-dien-1-amine?
The InChIKey is HNANAWCNKXROSU-LAQJMSQMSA-N. The full InChI is InChI=1S/C16H27N3/c1-7-12-19(6)16(17-5)11-9-10-14(3)13-15(4)18-8-2/h8,10-11H,2,5,7,9,12-13H2,1,3-4,6H3/b14-10-,16-11+,18-15+.
What are the key properties of (1Z,4Z)-7-ethenylimino-N,5-dimethyl-1-(methylideneamino)-N-propylocta-1,4-dien-1-amine?
(1Z,4Z)-7-ethenylimino-N,5-dimethyl-1-(methylideneamino)-N-propylocta-1,4-dien-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.20, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,4Z)-7-ethenylimino-N,5-dimethyl-1-(methylideneamino)-N-propylocta-1,4-dien-1-amine is sourced from PubChem (CID 167244658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).