9-methyldec-8-en-1-imine

C11H21N — CID 91330721

IUPAC9-methyldec-8-en-1-imine
SMILES[H]/N=C/CCCCCCC=C(C)C
InChIInChI=1S/C11H21N/c1-11(2)9-7-5-3-4-6-8-10-12/h9-10,12H,3-8H2,1-2H3/b12-10+
InChIKeyNEQJNKDBOATJLM-ZRDIBKRKSA-N
MW167.30 g/mol
LogP3.94
Rot. Bonds7

About 9-methyldec-8-en-1-imine

9-methyldec-8-en-1-imine (PubChem CID 91330721) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 9-methyldec-8-en-1-imine.

Molecular Properties

Compound Name9-methyldec-8-en-1-imine
PubChem CID91330721
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name9-methyldec-8-en-1-imine
SMILES[H]/N=C/CCCCCCC=C(C)C
InChIInChI=1S/C11H21N/c1-11(2)9-7-5-3-4-6-8-10-12/h9-10,12H,3-8H2,1-2H3/b12-10+
InChIKeyNEQJNKDBOATJLM-ZRDIBKRKSA-N
XLogP3.94
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.94
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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Frequently Asked Questions

What is the IUPAC name of 9-methyldec-8-en-1-imine?
The IUPAC name of 9-methyldec-8-en-1-imine (CID 91330721) is 9-methyldec-8-en-1-imine.
What is the SMILES notation for 9-methyldec-8-en-1-imine?
The canonical SMILES for 9-methyldec-8-en-1-imine is [H]/N=C/CCCCCCC=C(C)C.
What is the InChIKey of 9-methyldec-8-en-1-imine?
The InChIKey is NEQJNKDBOATJLM-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H21N/c1-11(2)9-7-5-3-4-6-8-10-12/h9-10,12H,3-8H2,1-2H3/b12-10+.
What are the key properties of 9-methyldec-8-en-1-imine?
9-methyldec-8-en-1-imine has a molecular weight of 167.30 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyldec-8-en-1-imine is sourced from PubChem (CID 91330721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).