3-(4-methylphenyl)-N-pentan-3-ylcyclobutan-1-amine

C16H25N — CID 43632713

IUPAC3-(4-methylphenyl)-N-pentan-3-ylcyclobutan-1-amine
SMILESCCC(CC)NC1CC(c2ccc(C)cc2)C1
InChIInChI=1S/C16H25N/c1-4-15(5-2)17-16-10-14(11-16)13-8-6-12(3)7-9-13/h6-9,14-17H,4-5,10-11H2,1-3H3
InChIKeyUIWFJHKWJBNGTA-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.02
Rot. Bonds5

About 3-(4-methylphenyl)-N-pentan-3-ylcyclobutan-1-amine

3-(4-methylphenyl)-N-pentan-3-ylcyclobutan-1-amine (PubChem CID 43632713) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-pentan-3-ylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-pentan-3-ylcyclobutan-1-amine
PubChem CID43632713
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name3-(4-methylphenyl)-N-pentan-3-ylcyclobutan-1-amine
SMILESCCC(CC)NC1CC(c2ccc(C)cc2)C1
InChIInChI=1S/C16H25N/c1-4-15(5-2)17-16-10-14(11-16)13-8-6-12(3)7-9-13/h6-9,14-17H,4-5,10-11H2,1-3H3
InChIKeyUIWFJHKWJBNGTA-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-heptan-2-yl-3-(4-methylphenyl)cyclobutan-1-amine
CID 43635717
methyl 3-methyl-2-[[3-(4-methylphenyl)cyclobutyl]amino]pentanoate
CID 43732449
N-(1-cyclopropylethyl)-3-(4-methylphenyl)cyclobutan-1-amine
CID 43635495
2-[[3-(4-methylphenyl)cyclobutyl]amino]propanoic acid
CID 54959235
N-butyl-3-(4-methylphenyl)cyclobutan-1-amine
CID 43633076
2-[[3-(4-methylphenyl)cyclobutyl]amino]-2-phenylethanol
CID 63182335
3-(4-methylphenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 43749167
3-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]cyclobutan-1-amine
CID 60946183
3-(4-methylphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine
CID 81363104
N-(3-methylbutyl)-3-(4-methylphenyl)cyclobutan-1-amine
CID 43633229
(2S)-1-[[3-(4-methylphenyl)cyclobutyl]amino]propan-2-ol
CID 93252952
3-(4-fluorophenyl)-N-pent-1-yn-3-ylcyclobutan-1-amine
CID 106224546

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-pentan-3-ylcyclobutan-1-amine?
The IUPAC name of 3-(4-methylphenyl)-N-pentan-3-ylcyclobutan-1-amine (CID 43632713) is 3-(4-methylphenyl)-N-pentan-3-ylcyclobutan-1-amine.
What is the SMILES notation for 3-(4-methylphenyl)-N-pentan-3-ylcyclobutan-1-amine?
The canonical SMILES for 3-(4-methylphenyl)-N-pentan-3-ylcyclobutan-1-amine is CCC(CC)NC1CC(c2ccc(C)cc2)C1.
What is the InChIKey of 3-(4-methylphenyl)-N-pentan-3-ylcyclobutan-1-amine?
The InChIKey is UIWFJHKWJBNGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-4-15(5-2)17-16-10-14(11-16)13-8-6-12(3)7-9-13/h6-9,14-17H,4-5,10-11H2,1-3H3.
What are the key properties of 3-(4-methylphenyl)-N-pentan-3-ylcyclobutan-1-amine?
3-(4-methylphenyl)-N-pentan-3-ylcyclobutan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-pentan-3-ylcyclobutan-1-amine is sourced from PubChem (CID 43632713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).