1-cyclohexyl-N,3-dimethylbut-3-en-1-imine

C12H21N — CID 155056071

IUPAC1-cyclohexyl-N,3-dimethylbut-3-en-1-imine
SMILESC=C(C)C/C(=N\C)C1CCCCC1
InChIInChI=1S/C12H21N/c1-10(2)9-12(13-3)11-7-5-4-6-8-11/h11H,1,4-9H2,2-3H3/b13-12+
InChIKeySUMAVUZXJZZRCI-OUKQBFOZSA-N
MW179.31 g/mol
LogP3.60
Rot. Bonds3

About 1-cyclohexyl-N,3-dimethylbut-3-en-1-imine

1-cyclohexyl-N,3-dimethylbut-3-en-1-imine (PubChem CID 155056071) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 1-cyclohexyl-N,3-dimethylbut-3-en-1-imine.

Molecular Properties

Compound Name1-cyclohexyl-N,3-dimethylbut-3-en-1-imine
PubChem CID155056071
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name1-cyclohexyl-N,3-dimethylbut-3-en-1-imine
SMILESC=C(C)C/C(=N\C)C1CCCCC1
InChIInChI=1S/C12H21N/c1-10(2)9-12(13-3)11-7-5-4-6-8-11/h11H,1,4-9H2,2-3H3/b13-12+
InChIKeySUMAVUZXJZZRCI-OUKQBFOZSA-N
XLogP3.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.60
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N,3-dimethylbut-3-en-1-imine?
The IUPAC name of 1-cyclohexyl-N,3-dimethylbut-3-en-1-imine (CID 155056071) is 1-cyclohexyl-N,3-dimethylbut-3-en-1-imine.
What is the SMILES notation for 1-cyclohexyl-N,3-dimethylbut-3-en-1-imine?
The canonical SMILES for 1-cyclohexyl-N,3-dimethylbut-3-en-1-imine is C=C(C)C/C(=N\C)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N,3-dimethylbut-3-en-1-imine?
The InChIKey is SUMAVUZXJZZRCI-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H21N/c1-10(2)9-12(13-3)11-7-5-4-6-8-11/h11H,1,4-9H2,2-3H3/b13-12+.
What are the key properties of 1-cyclohexyl-N,3-dimethylbut-3-en-1-imine?
1-cyclohexyl-N,3-dimethylbut-3-en-1-imine has a molecular weight of 179.31 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N,3-dimethylbut-3-en-1-imine is sourced from PubChem (CID 155056071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).