N-butyl-5-methylcyclohex-2-en-1-imine

C11H19N — CID 123167409

IUPACN-butyl-5-methylcyclohex-2-en-1-imine
SMILESCCCC/N=C1\C=CCC(C)C1
InChIInChI=1S/C11H19N/c1-3-4-8-12-11-7-5-6-10(2)9-11/h5,7,10H,3-4,6,8-9H2,1-2H3/b12-11+
InChIKeyYSBSTQGMMZVHPN-VAWYXSNFSA-N
MW165.28 g/mol
LogP3.21
Rot. Bonds3

About N-butyl-5-methylcyclohex-2-en-1-imine

N-butyl-5-methylcyclohex-2-en-1-imine (PubChem CID 123167409) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-butyl-5-methylcyclohex-2-en-1-imine.

Molecular Properties

Compound NameN-butyl-5-methylcyclohex-2-en-1-imine
PubChem CID123167409
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-butyl-5-methylcyclohex-2-en-1-imine
SMILESCCCC/N=C1\C=CCC(C)C1
InChIInChI=1S/C11H19N/c1-3-4-8-12-11-7-5-6-10(2)9-11/h5,7,10H,3-4,6,8-9H2,1-2H3/b12-11+
InChIKeyYSBSTQGMMZVHPN-VAWYXSNFSA-N
XLogP3.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.21
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'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-5-methylcyclohex-2-en-1-imine?
The IUPAC name of N-butyl-5-methylcyclohex-2-en-1-imine (CID 123167409) is N-butyl-5-methylcyclohex-2-en-1-imine.
What is the SMILES notation for N-butyl-5-methylcyclohex-2-en-1-imine?
The canonical SMILES for N-butyl-5-methylcyclohex-2-en-1-imine is CCCC/N=C1\C=CCC(C)C1.
What is the InChIKey of N-butyl-5-methylcyclohex-2-en-1-imine?
The InChIKey is YSBSTQGMMZVHPN-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H19N/c1-3-4-8-12-11-7-5-6-10(2)9-11/h5,7,10H,3-4,6,8-9H2,1-2H3/b12-11+.
What are the key properties of N-butyl-5-methylcyclohex-2-en-1-imine?
N-butyl-5-methylcyclohex-2-en-1-imine has a molecular weight of 165.28 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-methylcyclohex-2-en-1-imine is sourced from PubChem (CID 123167409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).