N-(2,5-dimethyl-3-propylidenehept-5-enyl)-2-methylpropan-1-imine

C16H29N — CID 123745403

IUPACN-(2,5-dimethyl-3-propylidenehept-5-enyl)-2-methylpropan-1-imine
SMILESCC=C(C)CC(=CCC)C(C)C/N=C/C(C)C
InChIInChI=1S/C16H29N/c1-7-9-16(10-14(5)8-2)15(6)12-17-11-13(3)4/h8-9,11,13,15H,7,10,12H2,1-6H3/b14-8?,16-9?,17-11+
InChIKeyWZANOZMKGIDLEN-AXALQEGBSA-N
MW235.41 g/mol
LogP5.04
Rot. Bonds7

About N-(2,5-dimethyl-3-propylidenehept-5-enyl)-2-methylpropan-1-imine

N-(2,5-dimethyl-3-propylidenehept-5-enyl)-2-methylpropan-1-imine (PubChem CID 123745403) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is N-(2,5-dimethyl-3-propylidenehept-5-enyl)-2-methylpropan-1-imine.

Molecular Properties

Compound NameN-(2,5-dimethyl-3-propylidenehept-5-enyl)-2-methylpropan-1-imine
PubChem CID123745403
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC NameN-(2,5-dimethyl-3-propylidenehept-5-enyl)-2-methylpropan-1-imine
SMILESCC=C(C)CC(=CCC)C(C)C/N=C/C(C)C
InChIInChI=1S/C16H29N/c1-7-9-16(10-14(5)8-2)15(6)12-17-11-13(3)4/h8-9,11,13,15H,7,10,12H2,1-6H3/b14-8?,16-9?,17-11+
InChIKeyWZANOZMKGIDLEN-AXALQEGBSA-N
XLogP5.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500235.41
LogP ≤ 55.04
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'}

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Related Compounds

N-ethyl-2-[4-fluoro-2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-yl]propan-1-imine
CID 169687567
(3S,7E)-8-(fluoromethyl)-3-methyl-3,4,5,6-tetrahydro-2H-azonine
CID 173998206
(3S)-N-cyclohexyl-3,7-dimethyloct-6-en-1-imine
CID 13509326
(S,e)-5-(2-methylbutylidene)-2,3,4,5-tetrahydropyridine
CID 129849200
N-tert-butyl-3,7-dimethyloct-6-en-1-imine
CID 20591843
3-Methyl-12-(3-penten-2-yl)-1-aza-1,5,9-cyclododecatriene
CID 54073519
3,6-dimethyl-4-propan-2-yl-3,4-dihydro-2H-azepine
CID 68344127
(4E,8E)-11-methyl-2-pent-3-en-2-yl-1-azacyclododeca-4,8,12-triene
CID 70505819
2-(3-Methylbutan-2-yl)-1-azacyclododeca-4,8,12-triene
CID 70531114
(5E,9E)-3-butyl-1-azacyclododeca-1,5,9-triene
CID 70595591
3-Butyl-1-azacyclododeca-1,5,9-triene
CID 70595592
(2Z)-2-ethylidene-N,4-dimethylhexan-1-imine
CID 87981822

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethyl-3-propylidenehept-5-enyl)-2-methylpropan-1-imine?
The IUPAC name of N-(2,5-dimethyl-3-propylidenehept-5-enyl)-2-methylpropan-1-imine (CID 123745403) is N-(2,5-dimethyl-3-propylidenehept-5-enyl)-2-methylpropan-1-imine.
What is the SMILES notation for N-(2,5-dimethyl-3-propylidenehept-5-enyl)-2-methylpropan-1-imine?
The canonical SMILES for N-(2,5-dimethyl-3-propylidenehept-5-enyl)-2-methylpropan-1-imine is CC=C(C)CC(=CCC)C(C)C/N=C/C(C)C.
What is the InChIKey of N-(2,5-dimethyl-3-propylidenehept-5-enyl)-2-methylpropan-1-imine?
The InChIKey is WZANOZMKGIDLEN-AXALQEGBSA-N. The full InChI is InChI=1S/C16H29N/c1-7-9-16(10-14(5)8-2)15(6)12-17-11-13(3)4/h8-9,11,13,15H,7,10,12H2,1-6H3/b14-8?,16-9?,17-11+.
What are the key properties of N-(2,5-dimethyl-3-propylidenehept-5-enyl)-2-methylpropan-1-imine?
N-(2,5-dimethyl-3-propylidenehept-5-enyl)-2-methylpropan-1-imine has a molecular weight of 235.41 g/mol, XLogP of 5.04, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethyl-3-propylidenehept-5-enyl)-2-methylpropan-1-imine is sourced from PubChem (CID 123745403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).