6-methyloct-4-en-1-imine

C9H17N — CID 123429096

IUPAC6-methyloct-4-en-1-imine
SMILES[H]/N=C/CCC=CC(C)CC
InChIInChI=1S/C9H17N/c1-3-9(2)7-5-4-6-8-10/h5,7-10H,3-4,6H2,1-2H3/b7-5?,10-8+
InChIKeyIHYHCRCJTBBZFL-QSKBLMOKSA-N
MW139.24 g/mol
LogP3.02
Rot. Bonds5

About 6-methyloct-4-en-1-imine

6-methyloct-4-en-1-imine (PubChem CID 123429096) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 6-methyloct-4-en-1-imine.

Molecular Properties

Compound Name6-methyloct-4-en-1-imine
PubChem CID123429096
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name6-methyloct-4-en-1-imine
SMILES[H]/N=C/CCC=CC(C)CC
InChIInChI=1S/C9H17N/c1-3-9(2)7-5-4-6-8-10/h5,7-10H,3-4,6H2,1-2H3/b7-5?,10-8+
InChIKeyIHYHCRCJTBBZFL-QSKBLMOKSA-N
XLogP3.02
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 53.02
H-Bond Donors ≤ 51
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

(Z)-6-fluoro-2-methylhept-3-en-1-imine
CID 88562245
6,6,6-Trifluoro-5-methyl-2-propan-2-ylhex-3-en-1-imine
CID 91136503
Octa-2,6-dien-1-imine
CID 172654188
Cyclohexa-2,4-dien-1-ylmethanimine
CID 19375494
(4Z,8Z)-2,2,11-trimethyl-1-azacyclododeca-4,8,12-triene
CID 20436153
(4E,8E)-2,2,11-trimethyl-1-azacyclododeca-4,8,12-triene
CID 22811541
3,12,12-Trimethyl-1-aza-1,5,9-cyclododecatriene
CID 53687623
Oct-3-en-1-imine
CID 53787635
2-Methylpent-3-en-1-imine
CID 56620219
2-Methyldec-3-en-1-imine
CID 57110449
Hept-3-en-1-imine
CID 57154508
2-Methylhex-3-en-1-imine
CID 57195916

Frequently Asked Questions

What is the IUPAC name of 6-methyloct-4-en-1-imine?
The IUPAC name of 6-methyloct-4-en-1-imine (CID 123429096) is 6-methyloct-4-en-1-imine.
What is the SMILES notation for 6-methyloct-4-en-1-imine?
The canonical SMILES for 6-methyloct-4-en-1-imine is [H]/N=C/CCC=CC(C)CC.
What is the InChIKey of 6-methyloct-4-en-1-imine?
The InChIKey is IHYHCRCJTBBZFL-QSKBLMOKSA-N. The full InChI is InChI=1S/C9H17N/c1-3-9(2)7-5-4-6-8-10/h5,7-10H,3-4,6H2,1-2H3/b7-5?,10-8+.
What are the key properties of 6-methyloct-4-en-1-imine?
6-methyloct-4-en-1-imine has a molecular weight of 139.24 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyloct-4-en-1-imine is sourced from PubChem (CID 123429096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).