(6E,8Z)-3-ethyl-6,7-dimethyl-N-prop-1-en-2-yldeca-6,8-dien-5-imine

C17H29N — CID 134293805

IUPAC(6E,8Z)-3-ethyl-6,7-dimethyl-N-prop-1-en-2-yldeca-6,8-dien-5-imine
SMILESC=C(C)/N=C(CC(CC)CC)/C(C)=C(C)/C=C\C
InChIInChI=1S/C17H29N/c1-8-11-14(6)15(7)17(18-13(4)5)12-16(9-2)10-3/h8,11,16H,4,9-10,12H2,1-3,5-7H3/b11-8-,15-14+,18-17+
InChIKeySHJYEIFTWSMTOP-VETDLQQISA-N
MW247.43 g/mol
LogP5.70
Rot. Bonds7

About (6E,8Z)-3-ethyl-6,7-dimethyl-N-prop-1-en-2-yldeca-6,8-dien-5-imine

(6E,8Z)-3-ethyl-6,7-dimethyl-N-prop-1-en-2-yldeca-6,8-dien-5-imine (PubChem CID 134293805) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is (6E,8Z)-3-ethyl-6,7-dimethyl-N-prop-1-en-2-yldeca-6,8-dien-5-imine.

Molecular Properties

Compound Name(6E,8Z)-3-ethyl-6,7-dimethyl-N-prop-1-en-2-yldeca-6,8-dien-5-imine
PubChem CID134293805
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name(6E,8Z)-3-ethyl-6,7-dimethyl-N-prop-1-en-2-yldeca-6,8-dien-5-imine
SMILESC=C(C)/N=C(CC(CC)CC)/C(C)=C(C)/C=C\C
InChIInChI=1S/C17H29N/c1-8-11-14(6)15(7)17(18-13(4)5)12-16(9-2)10-3/h8,11,16H,4,9-10,12H2,1-3,5-7H3/b11-8-,15-14+,18-17+
InChIKeySHJYEIFTWSMTOP-VETDLQQISA-N
XLogP5.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.43
LogP ≤ 55.70
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 (6E,8Z)-3-ethyl-6,7-dimethyl-N-prop-1-en-2-yldeca-6,8-dien-5-imine?
The IUPAC name of (6E,8Z)-3-ethyl-6,7-dimethyl-N-prop-1-en-2-yldeca-6,8-dien-5-imine (CID 134293805) is (6E,8Z)-3-ethyl-6,7-dimethyl-N-prop-1-en-2-yldeca-6,8-dien-5-imine.
What is the SMILES notation for (6E,8Z)-3-ethyl-6,7-dimethyl-N-prop-1-en-2-yldeca-6,8-dien-5-imine?
The canonical SMILES for (6E,8Z)-3-ethyl-6,7-dimethyl-N-prop-1-en-2-yldeca-6,8-dien-5-imine is C=C(C)/N=C(CC(CC)CC)/C(C)=C(C)/C=C\C.
What is the InChIKey of (6E,8Z)-3-ethyl-6,7-dimethyl-N-prop-1-en-2-yldeca-6,8-dien-5-imine?
The InChIKey is SHJYEIFTWSMTOP-VETDLQQISA-N. The full InChI is InChI=1S/C17H29N/c1-8-11-14(6)15(7)17(18-13(4)5)12-16(9-2)10-3/h8,11,16H,4,9-10,12H2,1-3,5-7H3/b11-8-,15-14+,18-17+.
What are the key properties of (6E,8Z)-3-ethyl-6,7-dimethyl-N-prop-1-en-2-yldeca-6,8-dien-5-imine?
(6E,8Z)-3-ethyl-6,7-dimethyl-N-prop-1-en-2-yldeca-6,8-dien-5-imine has a molecular weight of 247.43 g/mol, XLogP of 5.70, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8Z)-3-ethyl-6,7-dimethyl-N-prop-1-en-2-yldeca-6,8-dien-5-imine is sourced from PubChem (CID 134293805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).