(2Z)-3-butyl-N-ethenyl-3-methyl-2-prop-2-enylideneheptan-1-imine

C17H29N — CID 129033725

IUPAC(2Z)-3-butyl-N-ethenyl-3-methyl-2-prop-2-enylideneheptan-1-imine
SMILESC=C/C=C(\C=N\C=C)C(C)(CCCC)CCCC
InChIInChI=1S/C17H29N/c1-6-10-13-17(5,14-11-7-2)16(12-8-3)15-18-9-4/h8-9,12,15H,3-4,6-7,10-11,13-14H2,1-2,5H3/b16-12+,18-15+
InChIKeyJNYRHNWWCALKKM-GBHPYOBUSA-N
MW247.43 g/mol
LogP5.70
Rot. Bonds10

About (2Z)-3-butyl-N-ethenyl-3-methyl-2-prop-2-enylideneheptan-1-imine

(2Z)-3-butyl-N-ethenyl-3-methyl-2-prop-2-enylideneheptan-1-imine (PubChem CID 129033725) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is (2Z)-3-butyl-N-ethenyl-3-methyl-2-prop-2-enylideneheptan-1-imine.

Molecular Properties

Compound Name(2Z)-3-butyl-N-ethenyl-3-methyl-2-prop-2-enylideneheptan-1-imine
PubChem CID129033725
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name(2Z)-3-butyl-N-ethenyl-3-methyl-2-prop-2-enylideneheptan-1-imine
SMILESC=C/C=C(\C=N\C=C)C(C)(CCCC)CCCC
InChIInChI=1S/C17H29N/c1-6-10-13-17(5,14-11-7-2)16(12-8-3)15-18-9-4/h8-9,12,15H,3-4,6-7,10-11,13-14H2,1-2,5H3/b16-12+,18-15+
InChIKeyJNYRHNWWCALKKM-GBHPYOBUSA-N
XLogP5.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.43
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5Z)-7-butyl-7-methyltetradeca-1,3,5-trien-6-amine
CID 167179405
(3Z)-N-ethenyl-6-hexyl-6-methyldodeca-1,3-dien-5-imine
CID 138502761
(E)-4-butyl-N,4-dimethyl-3-[(Z)-prop-1-enyl]dec-2-en-1-imine
CID 139493100
[(5R,6R,7E)-6-butyl-7-ethenyl-5,6-dimethyldeca-7,9-dien-5-yl]benzene
CID 166095952
(E)-5,8-dimethyldodec-6-ene-5,8-diol
CID 22223420
2,2-dimethylhexane;tris(prop-1-ene)
CID 160899116
(2R)-2-ethyl-2-methylhexanoate
CID 86308625
2-butyl-2-methylhexanoic acid
CID 15930803
sodium;hydride;3-methylheptan-3-ol
CID 175497399
(2-butyl-2-methylhexyl) (2E)-2-ethenylpenta-2,4-dienoate
CID 167019416
azane;2,6-dibutyl-2,6-dimethylheptanedioic acid
CID 173344121
4-methylnona-1,3-diene
CID 71327710

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-butyl-N-ethenyl-3-methyl-2-prop-2-enylideneheptan-1-imine?
The IUPAC name of (2Z)-3-butyl-N-ethenyl-3-methyl-2-prop-2-enylideneheptan-1-imine (CID 129033725) is (2Z)-3-butyl-N-ethenyl-3-methyl-2-prop-2-enylideneheptan-1-imine.
What is the SMILES notation for (2Z)-3-butyl-N-ethenyl-3-methyl-2-prop-2-enylideneheptan-1-imine?
The canonical SMILES for (2Z)-3-butyl-N-ethenyl-3-methyl-2-prop-2-enylideneheptan-1-imine is C=C/C=C(\C=N\C=C)C(C)(CCCC)CCCC.
What is the InChIKey of (2Z)-3-butyl-N-ethenyl-3-methyl-2-prop-2-enylideneheptan-1-imine?
The InChIKey is JNYRHNWWCALKKM-GBHPYOBUSA-N. The full InChI is InChI=1S/C17H29N/c1-6-10-13-17(5,14-11-7-2)16(12-8-3)15-18-9-4/h8-9,12,15H,3-4,6-7,10-11,13-14H2,1-2,5H3/b16-12+,18-15+.
What are the key properties of (2Z)-3-butyl-N-ethenyl-3-methyl-2-prop-2-enylideneheptan-1-imine?
(2Z)-3-butyl-N-ethenyl-3-methyl-2-prop-2-enylideneheptan-1-imine has a molecular weight of 247.43 g/mol, XLogP of 5.70, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-butyl-N-ethenyl-3-methyl-2-prop-2-enylideneheptan-1-imine is sourced from PubChem (CID 129033725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).