(5Z,7Z)-6-ethyl-3-methylnona-5,7-dien-4-imine

C12H21N — CID 166703409

IUPAC(5Z,7Z)-6-ethyl-3-methylnona-5,7-dien-4-imine
SMILES[H]/N=C(/C=C(\C=C/C)CC)C(C)CC
InChIInChI=1S/C12H21N/c1-5-8-11(7-3)9-12(13)10(4)6-2/h5,8-10,13H,6-7H2,1-4H3/b8-5-,11-9-,13-12-
InChIKeyIZWFJQZPMNFHDD-SEQHGKGBSA-N
MW179.31 g/mol
LogP3.96
Rot. Bonds5

About (5Z,7Z)-6-ethyl-3-methylnona-5,7-dien-4-imine

(5Z,7Z)-6-ethyl-3-methylnona-5,7-dien-4-imine (PubChem CID 166703409) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (5Z,7Z)-6-ethyl-3-methylnona-5,7-dien-4-imine.

Molecular Properties

Compound Name(5Z,7Z)-6-ethyl-3-methylnona-5,7-dien-4-imine
PubChem CID166703409
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(5Z,7Z)-6-ethyl-3-methylnona-5,7-dien-4-imine
SMILES[H]/N=C(/C=C(\C=C/C)CC)C(C)CC
InChIInChI=1S/C12H21N/c1-5-8-11(7-3)9-12(13)10(4)6-2/h5,8-10,13H,6-7H2,1-4H3/b8-5-,11-9-,13-12-
InChIKeyIZWFJQZPMNFHDD-SEQHGKGBSA-N
XLogP3.96
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.96
H-Bond Donors ≤ 51
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 (5Z,7Z)-6-ethyl-3-methylnona-5,7-dien-4-imine?
The IUPAC name of (5Z,7Z)-6-ethyl-3-methylnona-5,7-dien-4-imine (CID 166703409) is (5Z,7Z)-6-ethyl-3-methylnona-5,7-dien-4-imine.
What is the SMILES notation for (5Z,7Z)-6-ethyl-3-methylnona-5,7-dien-4-imine?
The canonical SMILES for (5Z,7Z)-6-ethyl-3-methylnona-5,7-dien-4-imine is [H]/N=C(/C=C(\C=C/C)CC)C(C)CC.
What is the InChIKey of (5Z,7Z)-6-ethyl-3-methylnona-5,7-dien-4-imine?
The InChIKey is IZWFJQZPMNFHDD-SEQHGKGBSA-N. The full InChI is InChI=1S/C12H21N/c1-5-8-11(7-3)9-12(13)10(4)6-2/h5,8-10,13H,6-7H2,1-4H3/b8-5-,11-9-,13-12-.
What are the key properties of (5Z,7Z)-6-ethyl-3-methylnona-5,7-dien-4-imine?
(5Z,7Z)-6-ethyl-3-methylnona-5,7-dien-4-imine has a molecular weight of 179.31 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z)-6-ethyl-3-methylnona-5,7-dien-4-imine is sourced from PubChem (CID 166703409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).