N-hex-5-enyl-4-methylpentan-2-imine

C12H23N — CID 174852139

IUPACN-hex-5-enyl-4-methylpentan-2-imine
SMILESC=CCCCC/N=C(\C)CC(C)C
InChIInChI=1S/C12H23N/c1-5-6-7-8-9-13-12(4)10-11(2)3/h5,11H,1,6-10H2,2-4H3/b13-12+
InChIKeyMRZAWPGQAVRRNV-OUKQBFOZSA-N
MW181.32 g/mol
LogP3.85
Rot. Bonds7

About N-hex-5-enyl-4-methylpentan-2-imine

N-hex-5-enyl-4-methylpentan-2-imine (PubChem CID 174852139) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-hex-5-enyl-4-methylpentan-2-imine.

Molecular Properties

Compound NameN-hex-5-enyl-4-methylpentan-2-imine
PubChem CID174852139
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-hex-5-enyl-4-methylpentan-2-imine
SMILESC=CCCCC/N=C(\C)CC(C)C
InChIInChI=1S/C12H23N/c1-5-6-7-8-9-13-12(4)10-11(2)3/h5,11H,1,6-10H2,2-4H3/b13-12+
InChIKeyMRZAWPGQAVRRNV-OUKQBFOZSA-N
XLogP3.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.85
H-Bond Donors ≤ 50
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 N-hex-5-enyl-4-methylpentan-2-imine?
The IUPAC name of N-hex-5-enyl-4-methylpentan-2-imine (CID 174852139) is N-hex-5-enyl-4-methylpentan-2-imine.
What is the SMILES notation for N-hex-5-enyl-4-methylpentan-2-imine?
The canonical SMILES for N-hex-5-enyl-4-methylpentan-2-imine is C=CCCCC/N=C(\C)CC(C)C.
What is the InChIKey of N-hex-5-enyl-4-methylpentan-2-imine?
The InChIKey is MRZAWPGQAVRRNV-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H23N/c1-5-6-7-8-9-13-12(4)10-11(2)3/h5,11H,1,6-10H2,2-4H3/b13-12+.
What are the key properties of N-hex-5-enyl-4-methylpentan-2-imine?
N-hex-5-enyl-4-methylpentan-2-imine has a molecular weight of 181.32 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-enyl-4-methylpentan-2-imine is sourced from PubChem (CID 174852139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).