(2E,5E)-1,4-diimino-5-methyl-N,N-dipropylocta-2,5-dien-2-amine

C15H27N3 — CID 171811413

IUPAC(2E,5E)-1,4-diimino-5-methyl-N,N-dipropylocta-2,5-dien-2-amine
SMILES[H]/N=C(/C=C(\C=N\[H])N(CCC)CCC)C(\C)=C\CC
InChIInChI=1S/C15H27N3/c1-5-8-13(4)15(17)11-14(12-16)18(9-6-2)10-7-3/h8,11-12,16-17H,5-7,9-10H2,1-4H3/b13-8+,14-11+,16-12+,17-15-
InChIKeyFJUMEVUWSCJBRL-BFIZFFGXSA-N
MW249.40 g/mol
LogP4.02
Rot. Bonds9

About (2E,5E)-1,4-diimino-5-methyl-N,N-dipropylocta-2,5-dien-2-amine

(2E,5E)-1,4-diimino-5-methyl-N,N-dipropylocta-2,5-dien-2-amine (PubChem CID 171811413) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is (2E,5E)-1,4-diimino-5-methyl-N,N-dipropylocta-2,5-dien-2-amine.

Molecular Properties

Compound Name(2E,5E)-1,4-diimino-5-methyl-N,N-dipropylocta-2,5-dien-2-amine
PubChem CID171811413
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name(2E,5E)-1,4-diimino-5-methyl-N,N-dipropylocta-2,5-dien-2-amine
SMILES[H]/N=C(/C=C(\C=N\[H])N(CCC)CCC)C(\C)=C\CC
InChIInChI=1S/C15H27N3/c1-5-8-13(4)15(17)11-14(12-16)18(9-6-2)10-7-3/h8,11-12,16-17H,5-7,9-10H2,1-4H3/b13-8+,14-11+,16-12+,17-15-
InChIKeyFJUMEVUWSCJBRL-BFIZFFGXSA-N
XLogP4.02
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3E)-N-(2-iminopropyl)-N,3-dimethyl-5-methylidenehepta-1,3-dien-2-amine
CID 88556027
2-[(2Z,6Z)-7-ethyl-4,5-dihydroazocin-2-yl]ethanimine
CID 123178485
(4E)-N-ethyl-7-imino-4-methyl-N-propylocta-2,4-dien-3-amine
CID 123197646
(Z)-3-N-[(Z)-2-methylbut-2-enylidene]hex-2-ene-1,3-diimine
CID 123358061
N'-[(E)-4-iminohex-2-en-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 123367064
(E)-1-imino-N,4-dimethyl-N-propylpent-2-en-3-amine
CID 123719806
(E)-5-(azetidin-1-yl)hept-4-en-3-imine
CID 123814783
(2E,4Z)-1-imino-N,4,7-trimethyl-N-[(3E)-2-methylpenta-1,3-dien-3-yl]octa-2,4,7-trien-3-amine
CID 132044174
(3Z)-N-ethyl-5-ethylimino-6-methylhepta-3,6-dien-3-amine
CID 134472487
(2E,5E)-4-imino-5-methanimidoylhepta-2,5-dien-2-amine
CID 135254595
(5Z)-2-tert-butyl-5-ethylidenepyridin-4-imine
CID 146272330
(5Z)-2-tert-butyl-5-ethylidenepyridin-4-imine;ethane
CID 153372125

Frequently Asked Questions

What is the IUPAC name of (2E,5E)-1,4-diimino-5-methyl-N,N-dipropylocta-2,5-dien-2-amine?
The IUPAC name of (2E,5E)-1,4-diimino-5-methyl-N,N-dipropylocta-2,5-dien-2-amine (CID 171811413) is (2E,5E)-1,4-diimino-5-methyl-N,N-dipropylocta-2,5-dien-2-amine.
What is the SMILES notation for (2E,5E)-1,4-diimino-5-methyl-N,N-dipropylocta-2,5-dien-2-amine?
The canonical SMILES for (2E,5E)-1,4-diimino-5-methyl-N,N-dipropylocta-2,5-dien-2-amine is [H]/N=C(/C=C(\C=N\[H])N(CCC)CCC)C(\C)=C\CC.
What is the InChIKey of (2E,5E)-1,4-diimino-5-methyl-N,N-dipropylocta-2,5-dien-2-amine?
The InChIKey is FJUMEVUWSCJBRL-BFIZFFGXSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-8-13(4)15(17)11-14(12-16)18(9-6-2)10-7-3/h8,11-12,16-17H,5-7,9-10H2,1-4H3/b13-8+,14-11+,16-12+,17-15-.
What are the key properties of (2E,5E)-1,4-diimino-5-methyl-N,N-dipropylocta-2,5-dien-2-amine?
(2E,5E)-1,4-diimino-5-methyl-N,N-dipropylocta-2,5-dien-2-amine has a molecular weight of 249.40 g/mol, XLogP of 4.02, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-1,4-diimino-5-methyl-N,N-dipropylocta-2,5-dien-2-amine is sourced from PubChem (CID 171811413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).