N-[(1Z)-3-ethyl-4-methyl-2-prop-1-enylhepta-1,3,6-trienyl]ethanimine

C15H23N — CID 123294669

IUPACN-[(1Z)-3-ethyl-4-methyl-2-prop-1-enylhepta-1,3,6-trienyl]ethanimine
SMILESC=CCC(C)=C(CC)/C(C=CC)=C\N=C\C
InChIInChI=1S/C15H23N/c1-6-10-13(5)15(8-3)14(11-7-2)12-16-9-4/h6-7,9,11-12H,1,8,10H2,2-5H3/b11-7?,14-12-,15-13?,16-9+
InChIKeyNNBVGDDRJCWWGT-OTDQXZMWSA-N
MW217.36 g/mol
LogP4.84
Rot. Bonds6

About N-[(1Z)-3-ethyl-4-methyl-2-prop-1-enylhepta-1,3,6-trienyl]ethanimine

N-[(1Z)-3-ethyl-4-methyl-2-prop-1-enylhepta-1,3,6-trienyl]ethanimine (PubChem CID 123294669) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-[(1Z)-3-ethyl-4-methyl-2-prop-1-enylhepta-1,3,6-trienyl]ethanimine.

Molecular Properties

Compound NameN-[(1Z)-3-ethyl-4-methyl-2-prop-1-enylhepta-1,3,6-trienyl]ethanimine
PubChem CID123294669
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-[(1Z)-3-ethyl-4-methyl-2-prop-1-enylhepta-1,3,6-trienyl]ethanimine
SMILESC=CCC(C)=C(CC)/C(C=CC)=C\N=C\C
InChIInChI=1S/C15H23N/c1-6-10-13(5)15(8-3)14(11-7-2)12-16-9-4/h6-7,9,11-12H,1,8,10H2,2-5H3/b11-7?,14-12-,15-13?,16-9+
InChIKeyNNBVGDDRJCWWGT-OTDQXZMWSA-N
XLogP4.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-methyl-3-methylidene-5-(trifluoromethyl)hepta-1,4,6-trienyl]ethanimine
CID 91593348
N-(6-fluoro-4-methylideneocta-5,7-dienyl)ethanimine
CID 123683732
N-[(1Z,3E)-4-fluoro-2-propylhepta-1,3-dienyl]ethanimine
CID 129172083
(Z)-N-[(1Z,3E)-1-fluoro-2,3-dimethylhexa-1,3-dienyl]ethanimine
CID 144279669
(4E)-4-[(3Z,5Z)-7-fluoro-3-methyl-2-methylidenehepta-3,5-dienylidene]-3H-pyridine
CID 156341896
(2Z,6Z)-2-fluoro-N,3-dimethyl-4,5-dimethylideneocta-2,6-dien-1-imine
CID 144036268
4-[(4E)-5-(2-fluoropropan-2-yl)-6-methylhepta-2,4,6-trien-3-yl]-3H-pyrrole
CID 144037371
(2Z,4E,5Z)-N,3-bis(ethenyl)-4-ethylidene-2-fluorohepta-2,5-dien-1-imine
CID 144769687
N-[(1Z,4E,6E)-2-ethenyl-7-fluoro-4-methyl-3-methylideneocta-1,4,6-trienyl]methanimine
CID 170568622
3,6-dimethyl-3H-azepine
CID 10103165
6-propyl-3H-azepine
CID 53671035
CID 54211489
CID 54211489

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-3-ethyl-4-methyl-2-prop-1-enylhepta-1,3,6-trienyl]ethanimine?
The IUPAC name of N-[(1Z)-3-ethyl-4-methyl-2-prop-1-enylhepta-1,3,6-trienyl]ethanimine (CID 123294669) is N-[(1Z)-3-ethyl-4-methyl-2-prop-1-enylhepta-1,3,6-trienyl]ethanimine.
What is the SMILES notation for N-[(1Z)-3-ethyl-4-methyl-2-prop-1-enylhepta-1,3,6-trienyl]ethanimine?
The canonical SMILES for N-[(1Z)-3-ethyl-4-methyl-2-prop-1-enylhepta-1,3,6-trienyl]ethanimine is C=CCC(C)=C(CC)/C(C=CC)=C\N=C\C.
What is the InChIKey of N-[(1Z)-3-ethyl-4-methyl-2-prop-1-enylhepta-1,3,6-trienyl]ethanimine?
The InChIKey is NNBVGDDRJCWWGT-OTDQXZMWSA-N. The full InChI is InChI=1S/C15H23N/c1-6-10-13(5)15(8-3)14(11-7-2)12-16-9-4/h6-7,9,11-12H,1,8,10H2,2-5H3/b11-7?,14-12-,15-13?,16-9+.
What are the key properties of N-[(1Z)-3-ethyl-4-methyl-2-prop-1-enylhepta-1,3,6-trienyl]ethanimine?
N-[(1Z)-3-ethyl-4-methyl-2-prop-1-enylhepta-1,3,6-trienyl]ethanimine has a molecular weight of 217.36 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-3-ethyl-4-methyl-2-prop-1-enylhepta-1,3,6-trienyl]ethanimine is sourced from PubChem (CID 123294669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).