2-ethenyl-N-ethyl-N-methyl-3-methyliminohepta-1,4,6-trien-1-amine

C13H20N2 — CID 90887442

IUPAC2-ethenyl-N-ethyl-N-methyl-3-methyliminohepta-1,4,6-trien-1-amine
SMILESC=CC=C/C(=N\C)C(C=C)=CN(C)CC
InChIInChI=1S/C13H20N2/c1-6-9-10-13(14-4)12(7-2)11-15(5)8-3/h6-7,9-11H,1-2,8H2,3-5H3/b10-9?,12-11?,14-13+
InChIKeyNTRPIUMWWMZQOP-OCVJNYFASA-N
MW204.32 g/mol
LogP2.82
Rot. Bonds6

About 2-ethenyl-N-ethyl-N-methyl-3-methyliminohepta-1,4,6-trien-1-amine

2-ethenyl-N-ethyl-N-methyl-3-methyliminohepta-1,4,6-trien-1-amine (PubChem CID 90887442) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-ethenyl-N-ethyl-N-methyl-3-methyliminohepta-1,4,6-trien-1-amine.

Molecular Properties

Compound Name2-ethenyl-N-ethyl-N-methyl-3-methyliminohepta-1,4,6-trien-1-amine
PubChem CID90887442
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2-ethenyl-N-ethyl-N-methyl-3-methyliminohepta-1,4,6-trien-1-amine
SMILESC=CC=C/C(=N\C)C(C=C)=CN(C)CC
InChIInChI=1S/C13H20N2/c1-6-9-10-13(14-4)12(7-2)11-15(5)8-3/h6-7,9-11H,1-2,8H2,3-5H3/b10-9?,12-11?,14-13+
InChIKeyNTRPIUMWWMZQOP-OCVJNYFASA-N
XLogP2.82
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.82
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

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6-Fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine
CID 151746725
Dibenzo[b,f][1,4]diazocine
CID 11969075
2,5-dimethyl-3H-azepine
CID 11819081
[(5Z)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]methylidene-dimethylazanium chloride
CID 134892281
N,N-dimethyl-1-[(E)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine
CID 135027828
N,N-dimethyl-1-[(E)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine
CID 135042691
(Z)-N-[(E)-but-1-enyl]-3-[(E)-1-fluoroprop-1-enyl]-4-methylhept-3-en-2-imine
CID 145143636
1-[5-fluoro-6-methylidene-1-(2-methylprop-1-enyl)-3-pyridinyl]-N-[(2Z)-3-methylpenta-2,4-dien-2-yl]ethanimine
CID 153383099
3-fluoro-N-[(1E,3E,5E)-2-methylhepta-1,3,5-trienyl]butan-2-imine
CID 176952835

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-N-ethyl-N-methyl-3-methyliminohepta-1,4,6-trien-1-amine?
The IUPAC name of 2-ethenyl-N-ethyl-N-methyl-3-methyliminohepta-1,4,6-trien-1-amine (CID 90887442) is 2-ethenyl-N-ethyl-N-methyl-3-methyliminohepta-1,4,6-trien-1-amine.
What is the SMILES notation for 2-ethenyl-N-ethyl-N-methyl-3-methyliminohepta-1,4,6-trien-1-amine?
The canonical SMILES for 2-ethenyl-N-ethyl-N-methyl-3-methyliminohepta-1,4,6-trien-1-amine is C=CC=C/C(=N\C)C(C=C)=CN(C)CC.
What is the InChIKey of 2-ethenyl-N-ethyl-N-methyl-3-methyliminohepta-1,4,6-trien-1-amine?
The InChIKey is NTRPIUMWWMZQOP-OCVJNYFASA-N. The full InChI is InChI=1S/C13H20N2/c1-6-9-10-13(14-4)12(7-2)11-15(5)8-3/h6-7,9-11H,1-2,8H2,3-5H3/b10-9?,12-11?,14-13+.
What are the key properties of 2-ethenyl-N-ethyl-N-methyl-3-methyliminohepta-1,4,6-trien-1-amine?
2-ethenyl-N-ethyl-N-methyl-3-methyliminohepta-1,4,6-trien-1-amine has a molecular weight of 204.32 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-N-ethyl-N-methyl-3-methyliminohepta-1,4,6-trien-1-amine is sourced from PubChem (CID 90887442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).