(4Z)-N-hexyl-2-methylnona-4,7-dien-3-imine

C16H29N — CID 123860569

IUPAC(4Z)-N-hexyl-2-methylnona-4,7-dien-3-imine
SMILESCC=CC/C=C\C(=N\CCCCCC)C(C)C
InChIInChI=1S/C16H29N/c1-5-7-9-11-13-16(15(3)4)17-14-12-10-8-6-2/h5,7,11,13,15H,6,8-10,12,14H2,1-4H3/b7-5?,13-11-,17-16-
InChIKeyWAQBGTVQOFUJHE-BBXQXEPFSA-N
MW235.41 g/mol
LogP5.19
Rot. Bonds9

About (4Z)-N-hexyl-2-methylnona-4,7-dien-3-imine

(4Z)-N-hexyl-2-methylnona-4,7-dien-3-imine (PubChem CID 123860569) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is (4Z)-N-hexyl-2-methylnona-4,7-dien-3-imine.

Molecular Properties

Compound Name(4Z)-N-hexyl-2-methylnona-4,7-dien-3-imine
PubChem CID123860569
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name(4Z)-N-hexyl-2-methylnona-4,7-dien-3-imine
SMILESCC=CC/C=C\C(=N\CCCCCC)C(C)C
InChIInChI=1S/C16H29N/c1-5-7-9-11-13-16(15(3)4)17-14-12-10-8-6-2/h5,7,11,13,15H,6,8-10,12,14H2,1-4H3/b7-5?,13-11-,17-16-
InChIKeyWAQBGTVQOFUJHE-BBXQXEPFSA-N
XLogP5.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500235.41
LogP ≤ 55.19
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4Z)-N-hexyl-2-methylnona-4,7-dien-3-imine?
The IUPAC name of (4Z)-N-hexyl-2-methylnona-4,7-dien-3-imine (CID 123860569) is (4Z)-N-hexyl-2-methylnona-4,7-dien-3-imine.
What is the SMILES notation for (4Z)-N-hexyl-2-methylnona-4,7-dien-3-imine?
The canonical SMILES for (4Z)-N-hexyl-2-methylnona-4,7-dien-3-imine is CC=CC/C=C\C(=N\CCCCCC)C(C)C.
What is the InChIKey of (4Z)-N-hexyl-2-methylnona-4,7-dien-3-imine?
The InChIKey is WAQBGTVQOFUJHE-BBXQXEPFSA-N. The full InChI is InChI=1S/C16H29N/c1-5-7-9-11-13-16(15(3)4)17-14-12-10-8-6-2/h5,7,11,13,15H,6,8-10,12,14H2,1-4H3/b7-5?,13-11-,17-16-.
What are the key properties of (4Z)-N-hexyl-2-methylnona-4,7-dien-3-imine?
(4Z)-N-hexyl-2-methylnona-4,7-dien-3-imine has a molecular weight of 235.41 g/mol, XLogP of 5.19, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N-hexyl-2-methylnona-4,7-dien-3-imine is sourced from PubChem (CID 123860569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).