(4E)-N-ethenyl-2,5-dimethyl-4-propylhepta-1,4-dien-3-imine

C14H23N — CID 143544186

IUPAC(4E)-N-ethenyl-2,5-dimethyl-4-propylhepta-1,4-dien-3-imine
SMILESC=C/N=C(C(=C)C)/C(CCC)=C(\C)CC
InChIInChI=1S/C14H23N/c1-7-10-13(12(6)8-2)14(11(4)5)15-9-3/h9H,3-4,7-8,10H2,1-2,5-6H3/b13-12+,15-14+
InChIKeyJPXQLDHHHUKKIZ-SQIWNDBBSA-N
MW205.34 g/mol
LogP4.67
Rot. Bonds6

About (4E)-N-ethenyl-2,5-dimethyl-4-propylhepta-1,4-dien-3-imine

(4E)-N-ethenyl-2,5-dimethyl-4-propylhepta-1,4-dien-3-imine (PubChem CID 143544186) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is (4E)-N-ethenyl-2,5-dimethyl-4-propylhepta-1,4-dien-3-imine.

Molecular Properties

Compound Name(4E)-N-ethenyl-2,5-dimethyl-4-propylhepta-1,4-dien-3-imine
PubChem CID143544186
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name(4E)-N-ethenyl-2,5-dimethyl-4-propylhepta-1,4-dien-3-imine
SMILESC=C/N=C(C(=C)C)/C(CCC)=C(\C)CC
InChIInChI=1S/C14H23N/c1-7-10-13(12(6)8-2)14(11(4)5)15-9-3/h9H,3-4,7-8,10H2,1-2,5-6H3/b13-12+,15-14+
InChIKeyJPXQLDHHHUKKIZ-SQIWNDBBSA-N
XLogP4.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-ethenyl-2-ethyl-3-methylhex-2-en-1-imine
CID 145499159
(5Z)-N-ethenyl-6-methylocta-5,7-dien-4-imine
CID 166958594
(3E)-3-(chloromethyl)-2,4-dimethylhexa-1,3-diene
CID 146332316
(E)-3-methyl-2-propylpent-2-en-1-imine
CID 177362543
N,3-dimethyl-2-propylpent-2-enamide
CID 175801698
ethene;(3E)-3-ethenyl-2,4-dimethylhexa-1,3-diene
CID 163367523
butane;ethane;N-ethenylbut-3-en-2-imine
CID 145149803
ethane;2-methylbuta-1,3-diene;(3Z)-2,3,4-trimethylhexa-1,3-diene
CID 145156103
methane;2-methylpent-1-ene;bis(prop-1-ene)
CID 159090973
(3E)-3-ethylidene-2-methylhex-1-ene
CID 143524978
6-ethyl-7-methyl-3-methylidenedeca-1,6-diene
CID 54189290
ethane;(3Z,5E)-5-ethyl-6-methylnona-1,3,5-triene
CID 144652026

Frequently Asked Questions

What is the IUPAC name of (4E)-N-ethenyl-2,5-dimethyl-4-propylhepta-1,4-dien-3-imine?
The IUPAC name of (4E)-N-ethenyl-2,5-dimethyl-4-propylhepta-1,4-dien-3-imine (CID 143544186) is (4E)-N-ethenyl-2,5-dimethyl-4-propylhepta-1,4-dien-3-imine.
What is the SMILES notation for (4E)-N-ethenyl-2,5-dimethyl-4-propylhepta-1,4-dien-3-imine?
The canonical SMILES for (4E)-N-ethenyl-2,5-dimethyl-4-propylhepta-1,4-dien-3-imine is C=C/N=C(C(=C)C)/C(CCC)=C(\C)CC.
What is the InChIKey of (4E)-N-ethenyl-2,5-dimethyl-4-propylhepta-1,4-dien-3-imine?
The InChIKey is JPXQLDHHHUKKIZ-SQIWNDBBSA-N. The full InChI is InChI=1S/C14H23N/c1-7-10-13(12(6)8-2)14(11(4)5)15-9-3/h9H,3-4,7-8,10H2,1-2,5-6H3/b13-12+,15-14+.
What are the key properties of (4E)-N-ethenyl-2,5-dimethyl-4-propylhepta-1,4-dien-3-imine?
(4E)-N-ethenyl-2,5-dimethyl-4-propylhepta-1,4-dien-3-imine has a molecular weight of 205.34 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-N-ethenyl-2,5-dimethyl-4-propylhepta-1,4-dien-3-imine is sourced from PubChem (CID 143544186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).