N-butyl-3-(4-methylphenyl)cyclobutan-1-amine

C15H23N — CID 43633076

IUPACN-butyl-3-(4-methylphenyl)cyclobutan-1-amine
SMILESCCCCNC1CC(c2ccc(C)cc2)C1
InChIInChI=1S/C15H23N/c1-3-4-9-16-15-10-14(11-15)13-7-5-12(2)6-8-13/h5-8,14-16H,3-4,9-11H2,1-2H3
InChIKeyWFYOXFAXAZHSJN-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.63
Rot. Bonds5

About N-butyl-3-(4-methylphenyl)cyclobutan-1-amine

N-butyl-3-(4-methylphenyl)cyclobutan-1-amine (PubChem CID 43633076) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-butyl-3-(4-methylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-butyl-3-(4-methylphenyl)cyclobutan-1-amine
PubChem CID43633076
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-butyl-3-(4-methylphenyl)cyclobutan-1-amine
SMILESCCCCNC1CC(c2ccc(C)cc2)C1
InChIInChI=1S/C15H23N/c1-3-4-9-16-15-10-14(11-15)13-7-5-12(2)6-8-13/h5-8,14-16H,3-4,9-11H2,1-2H3
InChIKeyWFYOXFAXAZHSJN-UHFFFAOYSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(7-methyloctyl)-3-(4-methylphenyl)cyclobutan-1-amine
CID 43634778
N-(3-methylbutyl)-3-(4-methylphenyl)cyclobutan-1-amine
CID 43633229
3-(4-methoxyphenyl)-N-octylcyclobutan-1-amine
CID 115566490
N-cyclopropyl-4-[[3-(4-methylphenyl)cyclobutyl]amino]butanamide
CID 79378064
1-ethyl-5-(4-methylphenyl)-N-propylpiperidin-3-amine
CID 83990850
N-heptan-2-yl-3-(4-methylphenyl)cyclobutan-1-amine
CID 43635717
3-(4-methylphenyl)-N-(2-phenylsulfanylethyl)cyclobutan-1-amine
CID 60975909
3-(4-methylphenyl)-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine
CID 62313715
(2S)-1-[[3-(4-methylphenyl)cyclobutyl]amino]propan-2-ol
CID 93252952
3-(4-methylphenyl)-N-pentan-3-ylcyclobutan-1-amine
CID 43632713
3-[[[3-(4-methylphenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol
CID 66005603
N-(cyclohexylmethyl)-3-(4-methylphenyl)cyclobutan-1-amine
CID 43635351

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(4-methylphenyl)cyclobutan-1-amine?
The IUPAC name of N-butyl-3-(4-methylphenyl)cyclobutan-1-amine (CID 43633076) is N-butyl-3-(4-methylphenyl)cyclobutan-1-amine.
What is the SMILES notation for N-butyl-3-(4-methylphenyl)cyclobutan-1-amine?
The canonical SMILES for N-butyl-3-(4-methylphenyl)cyclobutan-1-amine is CCCCNC1CC(c2ccc(C)cc2)C1.
What is the InChIKey of N-butyl-3-(4-methylphenyl)cyclobutan-1-amine?
The InChIKey is WFYOXFAXAZHSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-3-4-9-16-15-10-14(11-15)13-7-5-12(2)6-8-13/h5-8,14-16H,3-4,9-11H2,1-2H3.
What are the key properties of N-butyl-3-(4-methylphenyl)cyclobutan-1-amine?
N-butyl-3-(4-methylphenyl)cyclobutan-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(4-methylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 43633076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).