3-methyl-N-[(4Z,6Z)-6-prop-2-enylidenedeca-1,4-dien-2-yl]butan-2-imine

C18H29N — CID 137466884

IUPAC3-methyl-N-[(4Z,6Z)-6-prop-2-enylidenedeca-1,4-dien-2-yl]butan-2-imine
SMILESC=C/C=C(\C=C/CC(=C)/N=C(\C)C(C)C)CCCC
InChIInChI=1S/C18H29N/c1-7-9-13-18(11-8-2)14-10-12-16(5)19-17(6)15(3)4/h8,10-11,14-15H,2,5,7,9,12-13H2,1,3-4,6H3/b14-10-,18-11-,19-17+
InChIKeyMNOPRABVWOOWKG-GTWFYMJOSA-N
MW259.44 g/mol
LogP5.87
Rot. Bonds9

About 3-methyl-N-[(4Z,6Z)-6-prop-2-enylidenedeca-1,4-dien-2-yl]butan-2-imine

3-methyl-N-[(4Z,6Z)-6-prop-2-enylidenedeca-1,4-dien-2-yl]butan-2-imine (PubChem CID 137466884) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 3-methyl-N-[(4Z,6Z)-6-prop-2-enylidenedeca-1,4-dien-2-yl]butan-2-imine.

Molecular Properties

Compound Name3-methyl-N-[(4Z,6Z)-6-prop-2-enylidenedeca-1,4-dien-2-yl]butan-2-imine
PubChem CID137466884
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name3-methyl-N-[(4Z,6Z)-6-prop-2-enylidenedeca-1,4-dien-2-yl]butan-2-imine
SMILESC=C/C=C(\C=C/CC(=C)/N=C(\C)C(C)C)CCCC
InChIInChI=1S/C18H29N/c1-7-9-13-18(11-8-2)14-10-12-16(5)19-17(6)15(3)4/h8,10-11,14-15H,2,5,7,9,12-13H2,1,3-4,6H3/b14-10-,18-11-,19-17+
InChIKeyMNOPRABVWOOWKG-GTWFYMJOSA-N
XLogP5.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.87
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'}

Analyze 3-methyl-N-[(4Z,6Z)-6-prop-2-enylidenedeca-1,4-dien-2-yl]butan-2-imine with MolForge

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Related Compounds

N-[(2E,4Z)-1-fluoro-3-methylhepta-2,4,6-trien-2-yl]-3-methylbutan-2-imine
CID 170144865
(5E)-3-(1-cyclopropylpropan-2-ylidene)-5-fluoro-N-[(E)-pent-2-en-2-yl]hepta-1,5-dien-4-imine
CID 173970810
(5E)-3-(1-cyclopropylpropan-2-ylidene)-5-fluoro-N-prop-1-en-2-ylhepta-1,5-dien-4-imine
CID 173970819
(7Z,9Z,11E)-8-fluoro-9-methyl-N-[(Z)-pent-2-en-3-yl]-7-propan-2-yltrideca-7,9,11-trien-3-imine
CID 174349263
(5E,7Z)-N-[(Z)-but-2-en-2-yl]-7-ethyl-5-fluoro-3-methylnona-5,7-dien-4-imine
CID 177041311
N-(6-methylcyclohexa-1,3-dien-1-yl)-6-methylidenecyclohex-2-en-1-imine
CID 68004378
2-Propan-2-yl-3,6-dihydrocyclopenta[b]pyrrole
CID 68078507
(6Z)-2,5,8-trimethyl-4,5-dihydro-1-benzazocine
CID 89070251
(5Z,6E)-2-methyl-6-prop-2-enylidene-3-propyl-5-propylidenepyridine
CID 89256584
3,3-dimethyl-N-[(3E,5Z,7Z)-4-methylnona-3,5,7-trien-3-yl]butan-2-imine
CID 89258854
5-Methylidene-2,3-di(propan-2-yl)pyrrole
CID 89449382
2,3-Dimethyl-7-methylidene-3,4-dihydroazepine
CID 90058260

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(4Z,6Z)-6-prop-2-enylidenedeca-1,4-dien-2-yl]butan-2-imine?
The IUPAC name of 3-methyl-N-[(4Z,6Z)-6-prop-2-enylidenedeca-1,4-dien-2-yl]butan-2-imine (CID 137466884) is 3-methyl-N-[(4Z,6Z)-6-prop-2-enylidenedeca-1,4-dien-2-yl]butan-2-imine.
What is the SMILES notation for 3-methyl-N-[(4Z,6Z)-6-prop-2-enylidenedeca-1,4-dien-2-yl]butan-2-imine?
The canonical SMILES for 3-methyl-N-[(4Z,6Z)-6-prop-2-enylidenedeca-1,4-dien-2-yl]butan-2-imine is C=C/C=C(\C=C/CC(=C)/N=C(\C)C(C)C)CCCC.
What is the InChIKey of 3-methyl-N-[(4Z,6Z)-6-prop-2-enylidenedeca-1,4-dien-2-yl]butan-2-imine?
The InChIKey is MNOPRABVWOOWKG-GTWFYMJOSA-N. The full InChI is InChI=1S/C18H29N/c1-7-9-13-18(11-8-2)14-10-12-16(5)19-17(6)15(3)4/h8,10-11,14-15H,2,5,7,9,12-13H2,1,3-4,6H3/b14-10-,18-11-,19-17+.
What are the key properties of 3-methyl-N-[(4Z,6Z)-6-prop-2-enylidenedeca-1,4-dien-2-yl]butan-2-imine?
3-methyl-N-[(4Z,6Z)-6-prop-2-enylidenedeca-1,4-dien-2-yl]butan-2-imine has a molecular weight of 259.44 g/mol, XLogP of 5.87, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4Z,6Z)-6-prop-2-enylidenedeca-1,4-dien-2-yl]butan-2-imine is sourced from PubChem (CID 137466884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).