ethane;(2E)-2-ethenyl-N-hexan-3-yl-3-methylpenta-2,4-dien-1-imine

C20H41N — CID 143401366

IUPACethane;(2E)-2-ethenyl-N-hexan-3-yl-3-methylpenta-2,4-dien-1-imine
SMILESC=C/C(C)=C(C=C)/C=N/C(CC)CCC.CC.CC.CC
InChIInChI=1S/C14H23N.3C2H6/c1-6-10-14(9-4)15-11-13(8-3)12(5)7-2;3*1-2/h7-8,11,14H,2-3,6,9-10H2,1,4-5H3;3*1-2H3/b13-12+,15-11+;;;
InChIKeyQPEAAUMCJDRDHY-BOFJVBDOSA-N
MW295.56 g/mol
LogP7.40
Rot. Bonds7

About ethane;(2E)-2-ethenyl-N-hexan-3-yl-3-methylpenta-2,4-dien-1-imine

ethane;(2E)-2-ethenyl-N-hexan-3-yl-3-methylpenta-2,4-dien-1-imine (PubChem CID 143401366) has the molecular formula C20H41N and a molecular weight of 295.56 g/mol. Its IUPAC name is ethane;(2E)-2-ethenyl-N-hexan-3-yl-3-methylpenta-2,4-dien-1-imine.

Molecular Properties

Compound Nameethane;(2E)-2-ethenyl-N-hexan-3-yl-3-methylpenta-2,4-dien-1-imine
PubChem CID143401366
Molecular FormulaC20H41N
Molecular Weight295.56 g/mol
Exact Mass295.32
IUPAC Nameethane;(2E)-2-ethenyl-N-hexan-3-yl-3-methylpenta-2,4-dien-1-imine
SMILESC=C/C(C)=C(C=C)/C=N/C(CC)CCC.CC.CC.CC
InChIInChI=1S/C14H23N.3C2H6/c1-6-10-14(9-4)15-11-13(8-3)12(5)7-2;3*1-2/h7-8,11,14H,2-3,6,9-10H2,1,4-5H3;3*1-2H3/b13-12+,15-11+;;;
InChIKeyQPEAAUMCJDRDHY-BOFJVBDOSA-N
XLogP7.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.56
LogP ≤ 57.40
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'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(2E)-2-ethenyl-N-hexan-3-yl-3-methylpenta-2,4-dien-1-imine?
The IUPAC name of ethane;(2E)-2-ethenyl-N-hexan-3-yl-3-methylpenta-2,4-dien-1-imine (CID 143401366) is ethane;(2E)-2-ethenyl-N-hexan-3-yl-3-methylpenta-2,4-dien-1-imine.
What is the SMILES notation for ethane;(2E)-2-ethenyl-N-hexan-3-yl-3-methylpenta-2,4-dien-1-imine?
The canonical SMILES for ethane;(2E)-2-ethenyl-N-hexan-3-yl-3-methylpenta-2,4-dien-1-imine is C=C/C(C)=C(C=C)/C=N/C(CC)CCC.CC.CC.CC.
What is the InChIKey of ethane;(2E)-2-ethenyl-N-hexan-3-yl-3-methylpenta-2,4-dien-1-imine?
The InChIKey is QPEAAUMCJDRDHY-BOFJVBDOSA-N. The full InChI is InChI=1S/C14H23N.3C2H6/c1-6-10-14(9-4)15-11-13(8-3)12(5)7-2;3*1-2/h7-8,11,14H,2-3,6,9-10H2,1,4-5H3;3*1-2H3/b13-12+,15-11+;;;.
What are the key properties of ethane;(2E)-2-ethenyl-N-hexan-3-yl-3-methylpenta-2,4-dien-1-imine?
ethane;(2E)-2-ethenyl-N-hexan-3-yl-3-methylpenta-2,4-dien-1-imine has a molecular weight of 295.56 g/mol, XLogP of 7.40, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-2-ethenyl-N-hexan-3-yl-3-methylpenta-2,4-dien-1-imine is sourced from PubChem (CID 143401366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).