5-ethyl-8-imino-N-methyl-2-(3-methylidenehexa-1,4-dienyl)non-3-ene-1,9-diamine

C19H33N3 — CID 123745497

IUPAC5-ethyl-8-imino-N-methyl-2-(3-methylidenehexa-1,4-dienyl)non-3-ene-1,9-diamine
SMILES[H]/N=C(\CN)CCC(C=CC(C=CC(=C)C=CC)CNC)CC
InChIInChI=1S/C19H33N3/c1-5-7-16(3)8-9-18(15-22-4)11-10-17(6-2)12-13-19(21)14-20/h5,7-11,17-18,21-22H,3,6,12-15,20H2,1-2,4H3/b7-5?,9-8?,11-10?,21-19-
InChIKeyAKNTYLCYKVWMQT-IBEHMTFMSA-N
MW303.49 g/mol
LogP3.85
Rot. Bonds12

About 5-ethyl-8-imino-N-methyl-2-(3-methylidenehexa-1,4-dienyl)non-3-ene-1,9-diamine

5-ethyl-8-imino-N-methyl-2-(3-methylidenehexa-1,4-dienyl)non-3-ene-1,9-diamine (PubChem CID 123745497) has the molecular formula C19H33N3 and a molecular weight of 303.49 g/mol. Its IUPAC name is 5-ethyl-8-imino-N-methyl-2-(3-methylidenehexa-1,4-dienyl)non-3-ene-1,9-diamine.

Molecular Properties

Compound Name5-ethyl-8-imino-N-methyl-2-(3-methylidenehexa-1,4-dienyl)non-3-ene-1,9-diamine
PubChem CID123745497
Molecular FormulaC19H33N3
Molecular Weight303.49 g/mol
Exact Mass303.27
IUPAC Name5-ethyl-8-imino-N-methyl-2-(3-methylidenehexa-1,4-dienyl)non-3-ene-1,9-diamine
SMILES[H]/N=C(\CN)CCC(C=CC(C=CC(=C)C=CC)CNC)CC
InChIInChI=1S/C19H33N3/c1-5-7-16(3)8-9-18(15-22-4)11-10-17(6-2)12-13-19(21)14-20/h5,7-11,17-18,21-22H,3,6,12-15,20H2,1-2,4H3/b7-5?,9-8?,11-10?,21-19-
InChIKeyAKNTYLCYKVWMQT-IBEHMTFMSA-N
XLogP3.85
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

1-cyclohexa-2,4-dien-1-yl-4-(3,3-dimethyl-2-methylidenepentyl)imino-3-fluoro-N-methylpentan-1-amine
CID 154993301
3-but-2-enyl-7-imino-N,6-dimethyloct-3-en-1-amine
CID 90691312
N-methyl-1-[6-[(Z)-3-methylidene-6-methyliminohept-4-en-2-yl]cyclohexa-1,5-dien-1-yl]ethanamine
CID 91045781
N-ethyl-3-[(4-hex-4-enylcyclohepta-3,5-dien-1-yl)methyl]pentan-1-amine
CID 91314281
5-(6-Imino-2,7-dimethylcyclodeca-1,9-dien-1-yl)pentan-1-amine
CID 123137693
(4Z,7Z)-6-ethylimino-N,2-dimethyl-7-propan-2-ylnona-4,7-dien-1-amine
CID 123139515
2-ethyl-N-(3-imino-4-methylpentyl)-7,12,16-trimethylheptadeca-11,15-dien-1-amine
CID 123367181
N-methyl-2-(3-methyl-4-methyliminocyclopent-2-en-1-yl)ethanamine
CID 123472772
(Z)-N,7-dimethyl-6-(2-methyliminoethyl)-5-prop-1-enyloct-5-en-1-amine
CID 123691013
(5Z)-7-piperidin-3-ylocta-5,7-dien-4-imine
CID 123845307
(6Z,8Z)-N,7-dimethyl-3-[(Z)-2-methylbut-1-enyl]-5-(3-methylbutyl)deca-6,8-dien-1-amine
CID 129215252
6-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-diene-1-carboximidoyl)-N-methylcyclohexa-1,3-dien-1-amine
CID 129238096

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-8-imino-N-methyl-2-(3-methylidenehexa-1,4-dienyl)non-3-ene-1,9-diamine?
The IUPAC name of 5-ethyl-8-imino-N-methyl-2-(3-methylidenehexa-1,4-dienyl)non-3-ene-1,9-diamine (CID 123745497) is 5-ethyl-8-imino-N-methyl-2-(3-methylidenehexa-1,4-dienyl)non-3-ene-1,9-diamine.
What is the SMILES notation for 5-ethyl-8-imino-N-methyl-2-(3-methylidenehexa-1,4-dienyl)non-3-ene-1,9-diamine?
The canonical SMILES for 5-ethyl-8-imino-N-methyl-2-(3-methylidenehexa-1,4-dienyl)non-3-ene-1,9-diamine is [H]/N=C(\CN)CCC(C=CC(C=CC(=C)C=CC)CNC)CC.
What is the InChIKey of 5-ethyl-8-imino-N-methyl-2-(3-methylidenehexa-1,4-dienyl)non-3-ene-1,9-diamine?
The InChIKey is AKNTYLCYKVWMQT-IBEHMTFMSA-N. The full InChI is InChI=1S/C19H33N3/c1-5-7-16(3)8-9-18(15-22-4)11-10-17(6-2)12-13-19(21)14-20/h5,7-11,17-18,21-22H,3,6,12-15,20H2,1-2,4H3/b7-5?,9-8?,11-10?,21-19-.
What are the key properties of 5-ethyl-8-imino-N-methyl-2-(3-methylidenehexa-1,4-dienyl)non-3-ene-1,9-diamine?
5-ethyl-8-imino-N-methyl-2-(3-methylidenehexa-1,4-dienyl)non-3-ene-1,9-diamine has a molecular weight of 303.49 g/mol, XLogP of 3.85, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-8-imino-N-methyl-2-(3-methylidenehexa-1,4-dienyl)non-3-ene-1,9-diamine is sourced from PubChem (CID 123745497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).