(3Z)-5-ethyl-N,4-di(propan-2-yl)deca-3,5,8-trien-2-imine

C18H31N — CID 123382625

IUPAC(3Z)-5-ethyl-N,4-di(propan-2-yl)deca-3,5,8-trien-2-imine
SMILESCC=CCC=C(CC)/C(=C\C(C)=N\C(C)C)C(C)C
InChIInChI=1S/C18H31N/c1-8-10-11-12-17(9-2)18(14(3)4)13-16(7)19-15(5)6/h8,10,12-15H,9,11H2,1-7H3/b10-8?,17-12?,18-13-,19-16+
InChIKeyFSMIMPAQPOVVBS-WPNWFCKQSA-N
MW261.45 g/mol
LogP5.74
Rot. Bonds7

About (3Z)-5-ethyl-N,4-di(propan-2-yl)deca-3,5,8-trien-2-imine

(3Z)-5-ethyl-N,4-di(propan-2-yl)deca-3,5,8-trien-2-imine (PubChem CID 123382625) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is (3Z)-5-ethyl-N,4-di(propan-2-yl)deca-3,5,8-trien-2-imine.

Molecular Properties

Compound Name(3Z)-5-ethyl-N,4-di(propan-2-yl)deca-3,5,8-trien-2-imine
PubChem CID123382625
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name(3Z)-5-ethyl-N,4-di(propan-2-yl)deca-3,5,8-trien-2-imine
SMILESCC=CCC=C(CC)/C(=C\C(C)=N\C(C)C)C(C)C
InChIInChI=1S/C18H31N/c1-8-10-11-12-17(9-2)18(14(3)4)13-16(7)19-15(5)6/h8,10,12-15H,9,11H2,1-7H3/b10-8?,17-12?,18-13-,19-16+
InChIKeyFSMIMPAQPOVVBS-WPNWFCKQSA-N
XLogP5.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.74
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'}

Analyze (3Z)-5-ethyl-N,4-di(propan-2-yl)deca-3,5,8-trien-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5Z)-3-ethenyl-8-[(5E,7E)-5-fluoro-2,12-dimethyltrideca-1,3,5,7-tetraen-7-yl]-2,3,4,7-tetrahydroazocine
CID 169948391
(2Z,4Z)-1-(4-fluorocyclohexa-1,3-dien-1-yl)-N-propan-2-ylhepta-2,4-dien-1-imine
CID 153399315
2,4,5-tri(propan-2-yl)-2H-pyrrole
CID 58164706
N,6-di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 58916542
(2S)-2-methyl-6-(2-methylpropyl)-2,3-dihydropyridine
CID 67991639
(5E,9E)-2-pent-3-en-2-yl-1-azacyclododeca-1,5,9-triene
CID 70585414
2-Pent-3-en-2-yl-1-azacyclododeca-1,5,9-triene
CID 70585416
(3E,6Z)-4-ethyl-N-methyl-5-methylidenenona-3,6,8-trien-2-imine
CID 88575967
2-methyl-4,5-di(propan-2-yl)-2H-pyrrole
CID 89060382
(2R)-6-methyl-2-[(Z)-2-methylbut-2-enyl]-3-methylidene-2H-pyridine
CID 89343280
1-[6-(3,6-dimethylideneoct-4-en-2-yl)cyclohexa-1,5-dien-1-yl]-N-methylethanimine
CID 90743390
N-(4-ethyl-2,7-dimethyl-2H-azepin-5-yl)-5-methyloct-6-en-2-imine
CID 91493860

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-ethyl-N,4-di(propan-2-yl)deca-3,5,8-trien-2-imine?
The IUPAC name of (3Z)-5-ethyl-N,4-di(propan-2-yl)deca-3,5,8-trien-2-imine (CID 123382625) is (3Z)-5-ethyl-N,4-di(propan-2-yl)deca-3,5,8-trien-2-imine.
What is the SMILES notation for (3Z)-5-ethyl-N,4-di(propan-2-yl)deca-3,5,8-trien-2-imine?
The canonical SMILES for (3Z)-5-ethyl-N,4-di(propan-2-yl)deca-3,5,8-trien-2-imine is CC=CCC=C(CC)/C(=C\C(C)=N\C(C)C)C(C)C.
What is the InChIKey of (3Z)-5-ethyl-N,4-di(propan-2-yl)deca-3,5,8-trien-2-imine?
The InChIKey is FSMIMPAQPOVVBS-WPNWFCKQSA-N. The full InChI is InChI=1S/C18H31N/c1-8-10-11-12-17(9-2)18(14(3)4)13-16(7)19-15(5)6/h8,10,12-15H,9,11H2,1-7H3/b10-8?,17-12?,18-13-,19-16+.
What are the key properties of (3Z)-5-ethyl-N,4-di(propan-2-yl)deca-3,5,8-trien-2-imine?
(3Z)-5-ethyl-N,4-di(propan-2-yl)deca-3,5,8-trien-2-imine has a molecular weight of 261.45 g/mol, XLogP of 5.74, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-ethyl-N,4-di(propan-2-yl)deca-3,5,8-trien-2-imine is sourced from PubChem (CID 123382625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).