N-[(2E,4E,6E)-2-chloro-3,6-dimethyldeca-2,4,6-trien-5-yl]hexan-2-imine

C18H30ClN — CID 153345490

IUPACN-[(2E,4E,6E)-2-chloro-3,6-dimethyldeca-2,4,6-trien-5-yl]hexan-2-imine
SMILESCCC/C=C(C)/C(=C\C(C)=C(/C)Cl)/N=C(\C)CCCC
InChIInChI=1S/C18H30ClN/c1-7-9-11-14(3)18(13-15(4)17(6)19)20-16(5)12-10-8-2/h11,13H,7-10,12H2,1-6H3/b14-11+,17-15+,18-13+,20-16+
InChIKeyWMOYTOJFAVKQHS-TYJYZVIKSA-N
MW295.90 g/mol
LogP6.80
Rot. Bonds8

About N-[(2E,4E,6E)-2-chloro-3,6-dimethyldeca-2,4,6-trien-5-yl]hexan-2-imine

N-[(2E,4E,6E)-2-chloro-3,6-dimethyldeca-2,4,6-trien-5-yl]hexan-2-imine (PubChem CID 153345490) has the molecular formula C18H30ClN and a molecular weight of 295.90 g/mol. Its IUPAC name is N-[(2E,4E,6E)-2-chloro-3,6-dimethyldeca-2,4,6-trien-5-yl]hexan-2-imine.

Molecular Properties

Compound NameN-[(2E,4E,6E)-2-chloro-3,6-dimethyldeca-2,4,6-trien-5-yl]hexan-2-imine
PubChem CID153345490
Molecular FormulaC18H30ClN
Molecular Weight295.90 g/mol
Exact Mass295.21
IUPAC NameN-[(2E,4E,6E)-2-chloro-3,6-dimethyldeca-2,4,6-trien-5-yl]hexan-2-imine
SMILESCCC/C=C(C)/C(=C\C(C)=C(/C)Cl)/N=C(\C)CCCC
InChIInChI=1S/C18H30ClN/c1-7-9-11-14(3)18(13-15(4)17(6)19)20-16(5)12-10-8-2/h11,13H,7-10,12H2,1-6H3/b14-11+,17-15+,18-13+,20-16+
InChIKeyWMOYTOJFAVKQHS-TYJYZVIKSA-N
XLogP6.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.90
LogP ≤ 56.80
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-[(2E,4E,6E)-2-chloro-3,6-dimethyldeca-2,4,6-trien-5-yl]hexan-2-imine with MolForge

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Related Compounds

N'-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]pentanimidamide
CID 153345700
(Z)-5-prop-1-en-2-ylnon-4-ene
CID 177440529
(E)-2-chlorohex-2-ene
CID 19796923
(Z)-N-[(E)-1-bromoprop-1-enyl]hexan-2-imine;carbanide;dimethylaminoazanide;tungsten(2+)
CID 171067757
1-bromo-1-chloropent-1-ene
CID 535956
3-methyl-5-[(1E,3E)-3-methyl-1-(2-methylcyclohexen-1-yl)hepta-1,3-dien-2-yl]iminononan-4-one
CID 155725846
(E)-2-methylhex-2-enoate;2-methylidenehexanoate
CID 21275729
N-[(2E,4E,6E)-6-methyl-2-morpholin-4-yldeca-2,4,6-trien-5-yl]butan-2-imine
CID 153345655
N-[(Z)-4-oxopent-2-en-3-yl]pentanimidoyl chloride
CID 123627963
2-methyldodec-2-enoyl chloride
CID 72833281
3-propylhept-3-en-2-one
CID 537652
lithium (Z)-non-4-en-5-olate
CID 23684731

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4E,6E)-2-chloro-3,6-dimethyldeca-2,4,6-trien-5-yl]hexan-2-imine?
The IUPAC name of N-[(2E,4E,6E)-2-chloro-3,6-dimethyldeca-2,4,6-trien-5-yl]hexan-2-imine (CID 153345490) is N-[(2E,4E,6E)-2-chloro-3,6-dimethyldeca-2,4,6-trien-5-yl]hexan-2-imine.
What is the SMILES notation for N-[(2E,4E,6E)-2-chloro-3,6-dimethyldeca-2,4,6-trien-5-yl]hexan-2-imine?
The canonical SMILES for N-[(2E,4E,6E)-2-chloro-3,6-dimethyldeca-2,4,6-trien-5-yl]hexan-2-imine is CCC/C=C(C)/C(=C\C(C)=C(/C)Cl)/N=C(\C)CCCC.
What is the InChIKey of N-[(2E,4E,6E)-2-chloro-3,6-dimethyldeca-2,4,6-trien-5-yl]hexan-2-imine?
The InChIKey is WMOYTOJFAVKQHS-TYJYZVIKSA-N. The full InChI is InChI=1S/C18H30ClN/c1-7-9-11-14(3)18(13-15(4)17(6)19)20-16(5)12-10-8-2/h11,13H,7-10,12H2,1-6H3/b14-11+,17-15+,18-13+,20-16+.
What are the key properties of N-[(2E,4E,6E)-2-chloro-3,6-dimethyldeca-2,4,6-trien-5-yl]hexan-2-imine?
N-[(2E,4E,6E)-2-chloro-3,6-dimethyldeca-2,4,6-trien-5-yl]hexan-2-imine has a molecular weight of 295.90 g/mol, XLogP of 6.80, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4E,6E)-2-chloro-3,6-dimethyldeca-2,4,6-trien-5-yl]hexan-2-imine is sourced from PubChem (CID 153345490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).