N,4-dimethyl-2-(3-methylbutan-2-yl)-3-propylhepta-2,4-dien-1-imine

C17H31N — CID 123920709

IUPACN,4-dimethyl-2-(3-methylbutan-2-yl)-3-propylhepta-2,4-dien-1-imine
SMILESCCC=C(C)C(CCC)=C(/C=N/C)C(C)C(C)C
InChIInChI=1S/C17H31N/c1-8-10-14(5)16(11-9-2)17(12-18-7)15(6)13(3)4/h10,12-13,15H,8-9,11H2,1-7H3/b14-10?,17-16?,18-12+
InChIKeyHWAMPTJEFPDDBW-MIOMRCIHSA-N
MW249.44 g/mol
LogP5.43
Rot. Bonds7

About N,4-dimethyl-2-(3-methylbutan-2-yl)-3-propylhepta-2,4-dien-1-imine

N,4-dimethyl-2-(3-methylbutan-2-yl)-3-propylhepta-2,4-dien-1-imine (PubChem CID 123920709) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is N,4-dimethyl-2-(3-methylbutan-2-yl)-3-propylhepta-2,4-dien-1-imine.

Molecular Properties

Compound NameN,4-dimethyl-2-(3-methylbutan-2-yl)-3-propylhepta-2,4-dien-1-imine
PubChem CID123920709
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC NameN,4-dimethyl-2-(3-methylbutan-2-yl)-3-propylhepta-2,4-dien-1-imine
SMILESCCC=C(C)C(CCC)=C(/C=N/C)C(C)C(C)C
InChIInChI=1S/C17H31N/c1-8-10-14(5)16(11-9-2)17(12-18-7)15(6)13(3)4/h10,12-13,15H,8-9,11H2,1-7H3/b14-10?,17-16?,18-12+
InChIKeyHWAMPTJEFPDDBW-MIOMRCIHSA-N
XLogP5.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.44
LogP ≤ 55.43
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 N,4-dimethyl-2-(3-methylbutan-2-yl)-3-propylhepta-2,4-dien-1-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

(Z)-N-ethyl-2-(2-fluoropropan-2-yl)-3-(5-methylcyclohexa-2,4-dien-1-yl)but-2-en-1-imine
CID 156099727
N-ethyl-2-[4-fluoro-2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-yl]propan-1-imine
CID 169687567
(2Z,4E,6E,8E)-10-ethyl-2-fluoro-N,3,7-trimethyldodeca-2,4,6,8-tetraen-1-imine
CID 101404446
N-ethyl-1-[5-(6-fluoro-2-methylcyclohex-2-en-1-yl)-2-methylcyclohepta-1,3-dien-1-yl]methanimine
CID 155724042
(Z)-3-(2,4-dimethylcyclobutyl)-N,2-dimethylprop-2-en-1-imine
CID 68249452
3,6-dimethyl-4-propan-2-yl-3,4-dihydro-2H-azepine
CID 68344127
(4Z)-N,5-dimethyl-2-prop-2-enylhepta-4,6-dien-1-imine
CID 87160355
(2Z)-2-ethylidene-N,4-dimethylhexan-1-imine
CID 87981822
(Z,2E)-N,6-dimethyl-2-propylidenehept-3-en-1-imine
CID 88562301
1-(5-ethyl-6-methylcyclohexa-1,5-dien-1-yl)-N-propylmethanimine
CID 89334781
(Z)-N-methyl-2-(2-methylpropyl)pent-2-en-1-imine
CID 90701519
4-(7-Methylcyclohepta-2,4-dien-1-yl)-2-methylidenepent-3-en-1-imine
CID 91151318

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-(3-methylbutan-2-yl)-3-propylhepta-2,4-dien-1-imine?
The IUPAC name of N,4-dimethyl-2-(3-methylbutan-2-yl)-3-propylhepta-2,4-dien-1-imine (CID 123920709) is N,4-dimethyl-2-(3-methylbutan-2-yl)-3-propylhepta-2,4-dien-1-imine.
What is the SMILES notation for N,4-dimethyl-2-(3-methylbutan-2-yl)-3-propylhepta-2,4-dien-1-imine?
The canonical SMILES for N,4-dimethyl-2-(3-methylbutan-2-yl)-3-propylhepta-2,4-dien-1-imine is CCC=C(C)C(CCC)=C(/C=N/C)C(C)C(C)C.
What is the InChIKey of N,4-dimethyl-2-(3-methylbutan-2-yl)-3-propylhepta-2,4-dien-1-imine?
The InChIKey is HWAMPTJEFPDDBW-MIOMRCIHSA-N. The full InChI is InChI=1S/C17H31N/c1-8-10-14(5)16(11-9-2)17(12-18-7)15(6)13(3)4/h10,12-13,15H,8-9,11H2,1-7H3/b14-10?,17-16?,18-12+.
What are the key properties of N,4-dimethyl-2-(3-methylbutan-2-yl)-3-propylhepta-2,4-dien-1-imine?
N,4-dimethyl-2-(3-methylbutan-2-yl)-3-propylhepta-2,4-dien-1-imine has a molecular weight of 249.44 g/mol, XLogP of 5.43, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-(3-methylbutan-2-yl)-3-propylhepta-2,4-dien-1-imine is sourced from PubChem (CID 123920709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).