2-methylnon-8-en-3-imine

C10H19N — CID 123741640

IUPAC2-methylnon-8-en-3-imine
SMILES[H]/N=C(\CCCCC=C)C(C)C
InChIInChI=1S/C10H19N/c1-4-5-6-7-8-10(11)9(2)3/h4,9,11H,1,5-8H2,2-3H3/b11-10+
InChIKeyDGWKUHFAOPQNHU-ZHACJKMWSA-N
MW153.27 g/mol
LogP3.41
Rot. Bonds6

About 2-methylnon-8-en-3-imine

2-methylnon-8-en-3-imine (PubChem CID 123741640) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 2-methylnon-8-en-3-imine.

Molecular Properties

Compound Name2-methylnon-8-en-3-imine
PubChem CID123741640
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name2-methylnon-8-en-3-imine
SMILES[H]/N=C(\CCCCC=C)C(C)C
InChIInChI=1S/C10H19N/c1-4-5-6-7-8-10(11)9(2)3/h4,9,11H,1,5-8H2,2-3H3/b11-10+
InChIKeyDGWKUHFAOPQNHU-ZHACJKMWSA-N
XLogP3.41
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.41
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 2-methylnon-8-en-3-imine?
The IUPAC name of 2-methylnon-8-en-3-imine (CID 123741640) is 2-methylnon-8-en-3-imine.
What is the SMILES notation for 2-methylnon-8-en-3-imine?
The canonical SMILES for 2-methylnon-8-en-3-imine is [H]/N=C(\CCCCC=C)C(C)C.
What is the InChIKey of 2-methylnon-8-en-3-imine?
The InChIKey is DGWKUHFAOPQNHU-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H19N/c1-4-5-6-7-8-10(11)9(2)3/h4,9,11H,1,5-8H2,2-3H3/b11-10+.
What are the key properties of 2-methylnon-8-en-3-imine?
2-methylnon-8-en-3-imine has a molecular weight of 153.27 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylnon-8-en-3-imine is sourced from PubChem (CID 123741640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).