(3E,5E,7E)-9-chloro-N-ethenyl-4,5,8-trimethylnona-3,5,7-trien-2-imine

C14H20ClN — CID 143455180

IUPAC(3E,5E,7E)-9-chloro-N-ethenyl-4,5,8-trimethylnona-3,5,7-trien-2-imine
SMILESC=C/N=C(C)/C=C(C)/C(C)=C/C=C(\C)CCl
InChIInChI=1S/C14H20ClN/c1-6-16-14(5)9-13(4)12(3)8-7-11(2)10-15/h6-9H,1,10H2,2-5H3/b11-7+,12-8+,13-9+,16-14+
InChIKeyGCYWGTUZNQPTIW-GKJVILCVSA-N
MW237.77 g/mol
LogP4.67
Rot. Bonds5

About (3E,5E,7E)-9-chloro-N-ethenyl-4,5,8-trimethylnona-3,5,7-trien-2-imine

(3E,5E,7E)-9-chloro-N-ethenyl-4,5,8-trimethylnona-3,5,7-trien-2-imine (PubChem CID 143455180) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is (3E,5E,7E)-9-chloro-N-ethenyl-4,5,8-trimethylnona-3,5,7-trien-2-imine.

Molecular Properties

Compound Name(3E,5E,7E)-9-chloro-N-ethenyl-4,5,8-trimethylnona-3,5,7-trien-2-imine
PubChem CID143455180
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name(3E,5E,7E)-9-chloro-N-ethenyl-4,5,8-trimethylnona-3,5,7-trien-2-imine
SMILESC=C/N=C(C)/C=C(C)/C(C)=C/C=C(\C)CCl
InChIInChI=1S/C14H20ClN/c1-6-16-14(5)9-13(4)12(3)8-7-11(2)10-15/h6-9H,1,10H2,2-5H3/b11-7+,12-8+,13-9+,16-14+
InChIKeyGCYWGTUZNQPTIW-GKJVILCVSA-N
XLogP4.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(3E)-3-chloro-6-methylhepta-3,5-dienyl]propan-2-imine
CID 89367414
(Z)-5-chloro-N-ethenylhex-3-en-2-imine
CID 90048222
7-(chloromethyl)-3-ethyl-2H-azepine
CID 90971402
N-(4-chlorohexa-1,3,5-trienyl)hexa-1,4-dien-3-imine
CID 91608116
5-methyl-N-penta-1,4-dienylhexa-3,5-dien-2-imine
CID 123158952
(3E)-N-(2-chloropropyl)-4-methylhepta-3,6-dien-2-imine
CID 123291843
2-(chloromethyl)-4-methyl-3H-azepine
CID 143013207
(Z)-N,3-bis(ethenyl)hex-2-enimidoyl chloride;ethane
CID 143344511
ethane;(3Z)-N-ethenyl-4-methylhexa-3,5-dien-2-imine
CID 144656062
ethane;(3Z)-N-ethenyl-3-methylhexa-3,5-dien-2-imine
CID 145193184
N-[(1Z,3E)-4-methylhexa-1,3-dienyl]propan-2-imine
CID 155134675
(3E,5Z)-N-ethenyl-3,4-dimethylhepta-3,5-dien-2-imine
CID 156122068

Frequently Asked Questions

What is the IUPAC name of (3E,5E,7E)-9-chloro-N-ethenyl-4,5,8-trimethylnona-3,5,7-trien-2-imine?
The IUPAC name of (3E,5E,7E)-9-chloro-N-ethenyl-4,5,8-trimethylnona-3,5,7-trien-2-imine (CID 143455180) is (3E,5E,7E)-9-chloro-N-ethenyl-4,5,8-trimethylnona-3,5,7-trien-2-imine.
What is the SMILES notation for (3E,5E,7E)-9-chloro-N-ethenyl-4,5,8-trimethylnona-3,5,7-trien-2-imine?
The canonical SMILES for (3E,5E,7E)-9-chloro-N-ethenyl-4,5,8-trimethylnona-3,5,7-trien-2-imine is C=C/N=C(C)/C=C(C)/C(C)=C/C=C(\C)CCl.
What is the InChIKey of (3E,5E,7E)-9-chloro-N-ethenyl-4,5,8-trimethylnona-3,5,7-trien-2-imine?
The InChIKey is GCYWGTUZNQPTIW-GKJVILCVSA-N. The full InChI is InChI=1S/C14H20ClN/c1-6-16-14(5)9-13(4)12(3)8-7-11(2)10-15/h6-9H,1,10H2,2-5H3/b11-7+,12-8+,13-9+,16-14+.
What are the key properties of (3E,5E,7E)-9-chloro-N-ethenyl-4,5,8-trimethylnona-3,5,7-trien-2-imine?
(3E,5E,7E)-9-chloro-N-ethenyl-4,5,8-trimethylnona-3,5,7-trien-2-imine has a molecular weight of 237.77 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7E)-9-chloro-N-ethenyl-4,5,8-trimethylnona-3,5,7-trien-2-imine is sourced from PubChem (CID 143455180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).