2-methyloct-7-en-4-imine

C9H17N — CID 163648956

IUPAC2-methyloct-7-en-4-imine
SMILES[H]/N=C(\CCC=C)CC(C)C
InChIInChI=1S/C9H17N/c1-4-5-6-9(10)7-8(2)3/h4,8,10H,1,5-7H2,2-3H3/b10-9+
InChIKeyIKOVROBDQDICNB-MDZDMXLPSA-N
MW139.24 g/mol
LogP3.02
Rot. Bonds5

About 2-methyloct-7-en-4-imine

2-methyloct-7-en-4-imine (PubChem CID 163648956) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2-methyloct-7-en-4-imine.

Molecular Properties

Compound Name2-methyloct-7-en-4-imine
PubChem CID163648956
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2-methyloct-7-en-4-imine
SMILES[H]/N=C(\CCC=C)CC(C)C
InChIInChI=1S/C9H17N/c1-4-5-6-9(10)7-8(2)3/h4,8,10H,1,5-7H2,2-3H3/b10-9+
InChIKeyIKOVROBDQDICNB-MDZDMXLPSA-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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyloct-7-en-4-imine?
The IUPAC name of 2-methyloct-7-en-4-imine (CID 163648956) is 2-methyloct-7-en-4-imine.
What is the SMILES notation for 2-methyloct-7-en-4-imine?
The canonical SMILES for 2-methyloct-7-en-4-imine is [H]/N=C(\CCC=C)CC(C)C.
What is the InChIKey of 2-methyloct-7-en-4-imine?
The InChIKey is IKOVROBDQDICNB-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H17N/c1-4-5-6-9(10)7-8(2)3/h4,8,10H,1,5-7H2,2-3H3/b10-9+.
What are the key properties of 2-methyloct-7-en-4-imine?
2-methyloct-7-en-4-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 2-methyloct-7-en-4-imine is sourced from PubChem (CID 163648956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).