(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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Related Compounds

4-diazo-N,N-diethyl-5-methylcyclohexa-1,5-dien-1-amine
CID 19805268
4-diazo-N,N-diethyl-6-methylcyclohexa-1,5-dien-1-amine
CID 54045951
1-methyl-2-[2-methyl-3-(1-methyl-3H-pyrrol-1-ium-2-yl)prop-2-enylidene]-3H-pyrrole
CID 59893251
(3E)-N-(2-iminopropyl)-N,3-dimethyl-5-methylidenehepta-1,3-dien-2-amine
CID 88556027
2-ethenyl-N-ethyl-N-methyl-3-methyliminohepta-1,4,6-trien-1-amine
CID 90887442
1-(1-ethenyl-3-methyl-4,5-dihydroazepin-2-yl)-N-methylethanimine
CID 91472922
[(4Z,7Z)-9-(diethylamino)-5-[(E)-hex-2-en-2-yl]deca-4,7,9-trienylidene]-diethylazanium
CID 118120033
(4E)-N-ethyl-7-imino-4-methyl-N-propylocta-2,4-dien-3-amine
CID 123197646
N,3-dimethyl-5-methylidene-N-(2-methyliminopropyl)hepta-1,3-dien-2-amine
CID 123335275
(4,6-Dimethyl-3-methylideneocta-4,6-dien-2-ylidene)-methyl-prop-1-enylazanium
CID 123453531
Methyl-(4-methyl-3-methylidenehex-4-en-2-ylidene)-prop-1-enylazanium
CID 123563926
Methyl-(4-methyl-3-methylidenehepta-4,6-dien-2-ylidene)-prop-1-enylazanium
CID 123815184

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).