(2E,4Z)-5-ethenyl-N-methyl-7-methylimino-N-propylocta-2,4-dien-2-amine

C15H26N2 — CID 137446331

IUPAC(2E,4Z)-5-ethenyl-N-methyl-7-methylimino-N-propylocta-2,4-dien-2-amine
SMILESC=C/C(=C\C=C(/C)N(C)CCC)C/C(C)=N/C
InChIInChI=1S/C15H26N2/c1-7-11-17(6)14(4)9-10-15(8-2)12-13(3)16-5/h8-10H,2,7,11-12H2,1,3-6H3/b14-9+,15-10+,16-13+
InChIKeyDYTDYCZHCVVBLE-UDVKZMKYSA-N
MW234.39 g/mol
LogP3.83
Rot. Bonds7

About (2E,4Z)-5-ethenyl-N-methyl-7-methylimino-N-propylocta-2,4-dien-2-amine

(2E,4Z)-5-ethenyl-N-methyl-7-methylimino-N-propylocta-2,4-dien-2-amine (PubChem CID 137446331) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is (2E,4Z)-5-ethenyl-N-methyl-7-methylimino-N-propylocta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E,4Z)-5-ethenyl-N-methyl-7-methylimino-N-propylocta-2,4-dien-2-amine
PubChem CID137446331
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name(2E,4Z)-5-ethenyl-N-methyl-7-methylimino-N-propylocta-2,4-dien-2-amine
SMILESC=C/C(=C\C=C(/C)N(C)CCC)C/C(C)=N/C
InChIInChI=1S/C15H26N2/c1-7-11-17(6)14(4)9-10-15(8-2)12-13(3)16-5/h8-10H,2,7,11-12H2,1,3-6H3/b14-9+,15-10+,16-13+
InChIKeyDYTDYCZHCVVBLE-UDVKZMKYSA-N
XLogP3.83
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-5-ethenyl-N-methyl-7-methylimino-N-propylocta-2,4-dien-2-amine?
The IUPAC name of (2E,4Z)-5-ethenyl-N-methyl-7-methylimino-N-propylocta-2,4-dien-2-amine (CID 137446331) is (2E,4Z)-5-ethenyl-N-methyl-7-methylimino-N-propylocta-2,4-dien-2-amine.
What is the SMILES notation for (2E,4Z)-5-ethenyl-N-methyl-7-methylimino-N-propylocta-2,4-dien-2-amine?
The canonical SMILES for (2E,4Z)-5-ethenyl-N-methyl-7-methylimino-N-propylocta-2,4-dien-2-amine is C=C/C(=C\C=C(/C)N(C)CCC)C/C(C)=N/C.
What is the InChIKey of (2E,4Z)-5-ethenyl-N-methyl-7-methylimino-N-propylocta-2,4-dien-2-amine?
The InChIKey is DYTDYCZHCVVBLE-UDVKZMKYSA-N. The full InChI is InChI=1S/C15H26N2/c1-7-11-17(6)14(4)9-10-15(8-2)12-13(3)16-5/h8-10H,2,7,11-12H2,1,3-6H3/b14-9+,15-10+,16-13+.
What are the key properties of (2E,4Z)-5-ethenyl-N-methyl-7-methylimino-N-propylocta-2,4-dien-2-amine?
(2E,4Z)-5-ethenyl-N-methyl-7-methylimino-N-propylocta-2,4-dien-2-amine has a molecular weight of 234.39 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-5-ethenyl-N-methyl-7-methylimino-N-propylocta-2,4-dien-2-amine is sourced from PubChem (CID 137446331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).