N-[(2Z,4E)-5,9-dimethyldeca-2,4,8-trien-3-yl]propan-2-imine

C15H25N — CID 142177247

IUPACN-[(2Z,4E)-5,9-dimethyldeca-2,4,8-trien-3-yl]propan-2-imine
SMILESC/C=C(/C=C(\C)CCC=C(C)C)N=C(C)C
InChIInChI=1S/C15H25N/c1-7-15(16-13(4)5)11-14(6)10-8-9-12(2)3/h7,9,11H,8,10H2,1-6H3/b14-11+,15-7-
InChIKeyJHBSHNZFGIVDCH-ORULBNEHSA-N
MW219.37 g/mol
LogP5.06
Rot. Bonds5

About N-[(2Z,4E)-5,9-dimethyldeca-2,4,8-trien-3-yl]propan-2-imine

N-[(2Z,4E)-5,9-dimethyldeca-2,4,8-trien-3-yl]propan-2-imine (PubChem CID 142177247) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N-[(2Z,4E)-5,9-dimethyldeca-2,4,8-trien-3-yl]propan-2-imine.

Molecular Properties

Compound NameN-[(2Z,4E)-5,9-dimethyldeca-2,4,8-trien-3-yl]propan-2-imine
PubChem CID142177247
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN-[(2Z,4E)-5,9-dimethyldeca-2,4,8-trien-3-yl]propan-2-imine
SMILESC/C=C(/C=C(\C)CCC=C(C)C)N=C(C)C
InChIInChI=1S/C15H25N/c1-7-15(16-13(4)5)11-14(6)10-8-9-12(2)3/h7,9,11H,8,10H2,1-6H3/b14-11+,15-7-
InChIKeyJHBSHNZFGIVDCH-ORULBNEHSA-N
XLogP5.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500219.37
LogP ≤ 55.06
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 5365898
tetrakis((2E)-3,7-dimethylocta-2,6-dienoate);molybdenum(4+)
CID 175882289
barium(2+);bis((2Z)-3,7-dimethylocta-2,6-dienoate)
CID 175905407
ethane;N-methoxymethanamine;(6Z,10E,12Z)-2,6,10-trimethyl-12-(propan-2-ylideneamino)tetradeca-6,10,12-trien-1-ol
CID 144859911
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
ethane;(6E,10Z)-2,6,10-trimethyldodeca-2,6,10-triene
CID 143275958
(2E,6Z)-1-chloro-3,7,11-trimethyldodeca-2,6,10-triene
CID 10752589
(2E,6E,10E,14E,18E,22E,26E,30E,34E)-1-chloro-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaene
CID 13174780
(1E)-2,6-dimethylhepta-1,5-dien-1-ol
CID 12944525

Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4E)-5,9-dimethyldeca-2,4,8-trien-3-yl]propan-2-imine?
The IUPAC name of N-[(2Z,4E)-5,9-dimethyldeca-2,4,8-trien-3-yl]propan-2-imine (CID 142177247) is N-[(2Z,4E)-5,9-dimethyldeca-2,4,8-trien-3-yl]propan-2-imine.
What is the SMILES notation for N-[(2Z,4E)-5,9-dimethyldeca-2,4,8-trien-3-yl]propan-2-imine?
The canonical SMILES for N-[(2Z,4E)-5,9-dimethyldeca-2,4,8-trien-3-yl]propan-2-imine is C/C=C(/C=C(\C)CCC=C(C)C)N=C(C)C.
What is the InChIKey of N-[(2Z,4E)-5,9-dimethyldeca-2,4,8-trien-3-yl]propan-2-imine?
The InChIKey is JHBSHNZFGIVDCH-ORULBNEHSA-N. The full InChI is InChI=1S/C15H25N/c1-7-15(16-13(4)5)11-14(6)10-8-9-12(2)3/h7,9,11H,8,10H2,1-6H3/b14-11+,15-7-.
What are the key properties of N-[(2Z,4E)-5,9-dimethyldeca-2,4,8-trien-3-yl]propan-2-imine?
N-[(2Z,4E)-5,9-dimethyldeca-2,4,8-trien-3-yl]propan-2-imine has a molecular weight of 219.37 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4E)-5,9-dimethyldeca-2,4,8-trien-3-yl]propan-2-imine is sourced from PubChem (CID 142177247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).