(6Z,8Z)-7-ethyl-N-[(E)-3-methylpent-2-en-2-yl]deca-6,8-dien-2-imine

C18H31N — CID 131992884

IUPAC(6Z,8Z)-7-ethyl-N-[(E)-3-methylpent-2-en-2-yl]deca-6,8-dien-2-imine
SMILESC/C=C\C(=C/CCC/C(C)=N/C(C)=C(\C)CC)CC
InChIInChI=1S/C18H31N/c1-7-12-18(9-3)14-11-10-13-16(5)19-17(6)15(4)8-2/h7,12,14H,8-11,13H2,1-6H3/b12-7-,17-15+,18-14-,19-16+
InChIKeyNEYOVGYMDYZRBP-LLAMXUCJSA-N
MW261.45 g/mol
LogP6.23
Rot. Bonds8

About (6Z,8Z)-7-ethyl-N-[(E)-3-methylpent-2-en-2-yl]deca-6,8-dien-2-imine

(6Z,8Z)-7-ethyl-N-[(E)-3-methylpent-2-en-2-yl]deca-6,8-dien-2-imine (PubChem CID 131992884) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is (6Z,8Z)-7-ethyl-N-[(E)-3-methylpent-2-en-2-yl]deca-6,8-dien-2-imine.

Molecular Properties

Compound Name(6Z,8Z)-7-ethyl-N-[(E)-3-methylpent-2-en-2-yl]deca-6,8-dien-2-imine
PubChem CID131992884
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name(6Z,8Z)-7-ethyl-N-[(E)-3-methylpent-2-en-2-yl]deca-6,8-dien-2-imine
SMILESC/C=C\C(=C/CCC/C(C)=N/C(C)=C(\C)CC)CC
InChIInChI=1S/C18H31N/c1-7-12-18(9-3)14-11-10-13-16(5)19-17(6)15(4)8-2/h7,12,14H,8-11,13H2,1-6H3/b12-7-,17-15+,18-14-,19-16+
InChIKeyNEYOVGYMDYZRBP-LLAMXUCJSA-N
XLogP6.23
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (6Z,8Z)-7-ethyl-N-[(E)-3-methylpent-2-en-2-yl]deca-6,8-dien-2-imine?
The IUPAC name of (6Z,8Z)-7-ethyl-N-[(E)-3-methylpent-2-en-2-yl]deca-6,8-dien-2-imine (CID 131992884) is (6Z,8Z)-7-ethyl-N-[(E)-3-methylpent-2-en-2-yl]deca-6,8-dien-2-imine.
What is the SMILES notation for (6Z,8Z)-7-ethyl-N-[(E)-3-methylpent-2-en-2-yl]deca-6,8-dien-2-imine?
The canonical SMILES for (6Z,8Z)-7-ethyl-N-[(E)-3-methylpent-2-en-2-yl]deca-6,8-dien-2-imine is C/C=C\C(=C/CCC/C(C)=N/C(C)=C(\C)CC)CC.
What is the InChIKey of (6Z,8Z)-7-ethyl-N-[(E)-3-methylpent-2-en-2-yl]deca-6,8-dien-2-imine?
The InChIKey is NEYOVGYMDYZRBP-LLAMXUCJSA-N. The full InChI is InChI=1S/C18H31N/c1-7-12-18(9-3)14-11-10-13-16(5)19-17(6)15(4)8-2/h7,12,14H,8-11,13H2,1-6H3/b12-7-,17-15+,18-14-,19-16+.
What are the key properties of (6Z,8Z)-7-ethyl-N-[(E)-3-methylpent-2-en-2-yl]deca-6,8-dien-2-imine?
(6Z,8Z)-7-ethyl-N-[(E)-3-methylpent-2-en-2-yl]deca-6,8-dien-2-imine has a molecular weight of 261.45 g/mol, XLogP of 6.23, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8Z)-7-ethyl-N-[(E)-3-methylpent-2-en-2-yl]deca-6,8-dien-2-imine is sourced from PubChem (CID 131992884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).