5-methylhept-5-en-2-imine

C8H15N — CID 123766869

IUPAC5-methylhept-5-en-2-imine
SMILES[H]/N=C(\C)CCC(C)=CC
InChIInChI=1S/C8H15N/c1-4-7(2)5-6-8(3)9/h4,9H,5-6H2,1-3H3/b7-4?,9-8+
InChIKeyOCHSAMZUMJQKBB-KMAKVMIOSA-N
MW125.21 g/mol
LogP2.77
Rot. Bonds3

About 5-methylhept-5-en-2-imine

5-methylhept-5-en-2-imine (PubChem CID 123766869) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 5-methylhept-5-en-2-imine.

Molecular Properties

Compound Name5-methylhept-5-en-2-imine
PubChem CID123766869
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name5-methylhept-5-en-2-imine
SMILES[H]/N=C(\C)CCC(C)=CC
InChIInChI=1S/C8H15N/c1-4-7(2)5-6-8(3)9/h4,9H,5-6H2,1-3H3/b7-4?,9-8+
InChIKeyOCHSAMZUMJQKBB-KMAKVMIOSA-N
XLogP2.77
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.77
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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Related Compounds

(E)-hex-4-en-2-imine
CID 15835471
3-iminobutan-1-ol
CID 54468047
5,5-dimethylhept-6-en-2-imine
CID 146447391
(Z)-3-methylpent-3-en-1-ol
CID 12576400
azane;5,5-dimethylhept-6-en-2-imine
CID 146447390
heptan-2-imine;propane;tungsten
CID 57359574
4-ethylsulfanylbutan-2-imine
CID 142118039
8-methylnon-8-en-2-imine
CID 163908836
4-imino-N-methylpentan-1-amine
CID 146836527
7-iminooctan-1-amine
CID 174433043
6-methyl-5-methylideneoctan-2-imine
CID 123962275
(2Z,6E)-3,6-dimethylocta-2,6-dienal
CID 124647728

Frequently Asked Questions

What is the IUPAC name of 5-methylhept-5-en-2-imine?
The IUPAC name of 5-methylhept-5-en-2-imine (CID 123766869) is 5-methylhept-5-en-2-imine.
What is the SMILES notation for 5-methylhept-5-en-2-imine?
The canonical SMILES for 5-methylhept-5-en-2-imine is [H]/N=C(\C)CCC(C)=CC.
What is the InChIKey of 5-methylhept-5-en-2-imine?
The InChIKey is OCHSAMZUMJQKBB-KMAKVMIOSA-N. The full InChI is InChI=1S/C8H15N/c1-4-7(2)5-6-8(3)9/h4,9H,5-6H2,1-3H3/b7-4?,9-8+.
What are the key properties of 5-methylhept-5-en-2-imine?
5-methylhept-5-en-2-imine has a molecular weight of 125.21 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylhept-5-en-2-imine is sourced from PubChem (CID 123766869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).