(3E,5Z)-2,3-diethyl-N-methyl-2-[(3E,5Z)-octa-3,5,7-trien-4-yl]octa-3,5-dien-1-imine;N-methylprop-1-en-2-amine

C25H42N2 — CID 142330018

IUPAC(3E,5Z)-2,3-diethyl-N-methyl-2-[(3E,5Z)-octa-3,5,7-trien-4-yl]octa-3,5-dien-1-imine;N-methylprop-1-en-2-amine
SMILESC=C(C)NC.C=C/C=C\C(=C/CC)C(/C=N/C)(CC)/C(=C/C=C\CC)CC
InChIInChI=1S/C21H33N.C4H9N/c1-7-12-14-17-19(10-4)21(11-5,18-22-6)20(15-9-3)16-13-8-2;1-4(2)5-3/h8,12-18H,2,7,9-11H2,1,3-6H3;5H,1H2,2-3H3/b14-12-,16-13-,19-17+,20-15+,22-18+;
InChIKeyUIQIBIHYDPULOH-RCLMEFMPSA-N
MW370.63 g/mol
LogP7.20
Rot. Bonds11

About (3E,5Z)-2,3-diethyl-N-methyl-2-[(3E,5Z)-octa-3,5,7-trien-4-yl]octa-3,5-dien-1-imine;N-methylprop-1-en-2-amine

(3E,5Z)-2,3-diethyl-N-methyl-2-[(3E,5Z)-octa-3,5,7-trien-4-yl]octa-3,5-dien-1-imine;N-methylprop-1-en-2-amine (PubChem CID 142330018) has the molecular formula C25H42N2 and a molecular weight of 370.63 g/mol. Its IUPAC name is (3E,5Z)-2,3-diethyl-N-methyl-2-[(3E,5Z)-octa-3,5,7-trien-4-yl]octa-3,5-dien-1-imine;N-methylprop-1-en-2-amine.

Molecular Properties

Compound Name(3E,5Z)-2,3-diethyl-N-methyl-2-[(3E,5Z)-octa-3,5,7-trien-4-yl]octa-3,5-dien-1-imine;N-methylprop-1-en-2-amine
PubChem CID142330018
Molecular FormulaC25H42N2
Molecular Weight370.63 g/mol
Exact Mass370.33
IUPAC Name(3E,5Z)-2,3-diethyl-N-methyl-2-[(3E,5Z)-octa-3,5,7-trien-4-yl]octa-3,5-dien-1-imine;N-methylprop-1-en-2-amine
SMILESC=C(C)NC.C=C/C=C\C(=C/CC)C(/C=N/C)(CC)/C(=C/C=C\CC)CC
InChIInChI=1S/C21H33N.C4H9N/c1-7-12-14-17-19(10-4)21(11-5,18-22-6)20(15-9-3)16-13-8-2;1-4(2)5-3/h8,12-18H,2,7,9-11H2,1,3-6H3;5H,1H2,2-3H3/b14-12-,16-13-,19-17+,20-15+,22-18+;
InChIKeyUIQIBIHYDPULOH-RCLMEFMPSA-N
XLogP7.20
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.63
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E,5Z)-2,3-diethyl-N-methyl-2-[(3E,5Z)-octa-3,5,7-trien-4-yl]octa-3,5-dien-1-imine;N-methylprop-1-en-2-amine with MolForge

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Related Compounds

(1Z,3E)-1-N,3-dimethyl-2-[(4Z,6Z)-5-methyl-7-(methylideneamino)octa-4,6-dien-2-yl]penta-1,3-diene-1,4-diamine
CID 132186036
methanamine;2,2,3-trimethyl-N-(2-methylcyclohexa-1,5-dien-1-yl)-3-(6-methylcyclohexa-2,4-dien-1-yl)butan-1-imine
CID 141774993
ethane;(1E,4Z,6Z)-3-[2-methanimidoyl-4-(7-methyl-3H-azepin-6-yl)butylidene]-N-methylocta-1,4,6-trien-1-amine
CID 142939288
but-1-ene;ethane;2-[3-ethenyl-1-methyl-2-(methylideneamino)cyclopent-2-en-1-yl]-N-methylethanamine
CID 143423159
(3E,5E,8E)-5-[(Z)-5-imino-2,3-dimethylpent-3-en-2-yl]-1-methyliminodeca-3,5,8-trien-3-amine
CID 155477972
ethane;(1E,3E,7Z)-3-ethylidene-5,5-dimethyl-6-methylidene-N-penta-1,4-dien-2-ylcycloocta-1,7-dien-1-amine;propan-1-imine
CID 156811472
(2E,4E)-N-[(4,4-dimethyl-2,6-dimethylidenecyclohexylidene)methyl]-4-ethyl-1-methyliminohexa-2,4-dien-2-amine
CID 166983676
(2E,4Z)-1-N-[(2Z,4Z)-3,4-ditert-butylhexa-2,4-dienyl]-3-N-prop-2-enylhexa-2,4-diene-1,3-diamine
CID 167384464
(3Z)-3-(2,2-dimethylpropylidene)-5-(3-iminoprop-1-en-2-yl)-N,2,4,4-tetramethylcyclohexa-1,5-dien-1-amine
CID 170236980
(1E,3Z)-4-N,2-dimethyl-3-[(2R)-4-methyliminobutan-2-yl]hexa-1,3,5-triene-1,4-diamine
CID 173762686
5-(3,3-dimethylcyclobutyl)imino-N-[(3Z)-hexa-1,3-dien-2-yl]-4-methyl-2-(2-methylpropyl)penta-1,3-dien-1-amine
CID 174092895
(2E,4Z)-7-(butan-2-yliminomethyl)-N,8-dimethyl-4-[(3Z)-penta-1,3-dien-3-yl]nona-2,4,7-trien-2-amine
CID 142583824

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-2,3-diethyl-N-methyl-2-[(3E,5Z)-octa-3,5,7-trien-4-yl]octa-3,5-dien-1-imine;N-methylprop-1-en-2-amine?
The IUPAC name of (3E,5Z)-2,3-diethyl-N-methyl-2-[(3E,5Z)-octa-3,5,7-trien-4-yl]octa-3,5-dien-1-imine;N-methylprop-1-en-2-amine (CID 142330018) is (3E,5Z)-2,3-diethyl-N-methyl-2-[(3E,5Z)-octa-3,5,7-trien-4-yl]octa-3,5-dien-1-imine;N-methylprop-1-en-2-amine.
What is the SMILES notation for (3E,5Z)-2,3-diethyl-N-methyl-2-[(3E,5Z)-octa-3,5,7-trien-4-yl]octa-3,5-dien-1-imine;N-methylprop-1-en-2-amine?
The canonical SMILES for (3E,5Z)-2,3-diethyl-N-methyl-2-[(3E,5Z)-octa-3,5,7-trien-4-yl]octa-3,5-dien-1-imine;N-methylprop-1-en-2-amine is C=C(C)NC.C=C/C=C\C(=C/CC)C(/C=N/C)(CC)/C(=C/C=C\CC)CC.
What is the InChIKey of (3E,5Z)-2,3-diethyl-N-methyl-2-[(3E,5Z)-octa-3,5,7-trien-4-yl]octa-3,5-dien-1-imine;N-methylprop-1-en-2-amine?
The InChIKey is UIQIBIHYDPULOH-RCLMEFMPSA-N. The full InChI is InChI=1S/C21H33N.C4H9N/c1-7-12-14-17-19(10-4)21(11-5,18-22-6)20(15-9-3)16-13-8-2;1-4(2)5-3/h8,12-18H,2,7,9-11H2,1,3-6H3;5H,1H2,2-3H3/b14-12-,16-13-,19-17+,20-15+,22-18+;.
What are the key properties of (3E,5Z)-2,3-diethyl-N-methyl-2-[(3E,5Z)-octa-3,5,7-trien-4-yl]octa-3,5-dien-1-imine;N-methylprop-1-en-2-amine?
(3E,5Z)-2,3-diethyl-N-methyl-2-[(3E,5Z)-octa-3,5,7-trien-4-yl]octa-3,5-dien-1-imine;N-methylprop-1-en-2-amine has a molecular weight of 370.63 g/mol, XLogP of 7.20, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-2,3-diethyl-N-methyl-2-[(3E,5Z)-octa-3,5,7-trien-4-yl]octa-3,5-dien-1-imine;N-methylprop-1-en-2-amine is sourced from PubChem (CID 142330018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).