1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-1-imine

C15H20ClN — CID 11218898

IUPAC1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-1-imine
SMILES[H]/N=C(\CC(C)C)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C15H20ClN/c1-11(2)10-14(17)15(8-3-9-15)12-4-6-13(16)7-5-12/h4-7,11,17H,3,8-10H2,1-2H3/b17-14+
InChIKeyWIIQRUBJQKSHQN-SAPNQHFASA-N
MW249.79 g/mol
LogP4.83
Rot. Bonds4

About 1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-1-imine

1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-1-imine (PubChem CID 11218898) has the molecular formula C15H20ClN and a molecular weight of 249.79 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-1-imine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-1-imine
PubChem CID11218898
Molecular FormulaC15H20ClN
Molecular Weight249.79 g/mol
Exact Mass249.13
IUPAC Name1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-1-imine
SMILES[H]/N=C(\CC(C)C)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C15H20ClN/c1-11(2)10-14(17)15(8-3-9-15)12-4-6-13(16)7-5-12/h4-7,11,17H,3,8-10H2,1-2H3/b17-14+
InChIKeyWIIQRUBJQKSHQN-SAPNQHFASA-N
XLogP4.83
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.79
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

dimagnesium;(2S)-4-azanidylidene-4-[1-(4-chlorophenyl)cyclobutyl]-2-methylbutan-1-olate;bromide;chloride
CID 59908350
(1S,2S)-1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-2-ol;hydrochloride
CID 139996809
1-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]cyclopentane-1-carboxamide
CID 97185327
3-[1-(4-chlorophenyl)cyclobutyl]-2-methylpropan-1-amine
CID 174659532
3-[1-(4-chlorophenyl)cyclobutyl]-5-methylhexan-1-amine;2-methylpropane
CID 143085896
bis[1-(4-chlorophenyl)cyclohexyl]methanone
CID 139779969
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 62596044
1-(4-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutane-1-carboxamide
CID 78865674
[(1R)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-dimethylselanium
CID 154066802
1-(4-chlorophenyl)-N-methyl-N-(2-methylpropyl)cyclobutan-1-amine;hydrochloride
CID 21270241
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]propan-2-amine
CID 62595313
1-[1-(4-chlorophenyl)cyclobutyl]propan-2-amine
CID 13083334

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-1-imine?
The IUPAC name of 1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-1-imine (CID 11218898) is 1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-1-imine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-1-imine?
The canonical SMILES for 1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-1-imine is [H]/N=C(\CC(C)C)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-1-imine?
The InChIKey is WIIQRUBJQKSHQN-SAPNQHFASA-N. The full InChI is InChI=1S/C15H20ClN/c1-11(2)10-14(17)15(8-3-9-15)12-4-6-13(16)7-5-12/h4-7,11,17H,3,8-10H2,1-2H3/b17-14+.
What are the key properties of 1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-1-imine?
1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-1-imine has a molecular weight of 249.79 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-1-imine is sourced from PubChem (CID 11218898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).