[1-(3-pyrrolidin-3-ylphenyl)cyclobutyl]methanamine

C15H22N2 — CID 84793975

IUPAC[1-(3-pyrrolidin-3-ylphenyl)cyclobutyl]methanamine
SMILESNCC1(c2cccc(C3CCNC3)c2)CCC1
InChIInChI=1S/C15H22N2/c16-11-15(6-2-7-15)14-4-1-3-12(9-14)13-5-8-17-10-13/h1,3-4,9,13,17H,2,5-8,10-11,16H2
InChIKeyKGEQAIYJYMJKJZ-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.14
Rot. Bonds3

About [1-(3-pyrrolidin-3-ylphenyl)cyclobutyl]methanamine

[1-(3-pyrrolidin-3-ylphenyl)cyclobutyl]methanamine (PubChem CID 84793975) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is [1-(3-pyrrolidin-3-ylphenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(3-pyrrolidin-3-ylphenyl)cyclobutyl]methanamine
PubChem CID84793975
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name[1-(3-pyrrolidin-3-ylphenyl)cyclobutyl]methanamine
SMILESNCC1(c2cccc(C3CCNC3)c2)CCC1
InChIInChI=1S/C15H22N2/c16-11-15(6-2-7-15)14-4-1-3-12(9-14)13-5-8-17-10-13/h1,3-4,9,13,17H,2,5-8,10-11,16H2
InChIKeyKGEQAIYJYMJKJZ-UHFFFAOYSA-N
XLogP2.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(3-pyrrolidin-3-ylphenyl)cyclobutyl]methanamine?
The IUPAC name of [1-(3-pyrrolidin-3-ylphenyl)cyclobutyl]methanamine (CID 84793975) is [1-(3-pyrrolidin-3-ylphenyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(3-pyrrolidin-3-ylphenyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(3-pyrrolidin-3-ylphenyl)cyclobutyl]methanamine is NCC1(c2cccc(C3CCNC3)c2)CCC1.
What is the InChIKey of [1-(3-pyrrolidin-3-ylphenyl)cyclobutyl]methanamine?
The InChIKey is KGEQAIYJYMJKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c16-11-15(6-2-7-15)14-4-1-3-12(9-14)13-5-8-17-10-13/h1,3-4,9,13,17H,2,5-8,10-11,16H2.
What are the key properties of [1-(3-pyrrolidin-3-ylphenyl)cyclobutyl]methanamine?
[1-(3-pyrrolidin-3-ylphenyl)cyclobutyl]methanamine has a molecular weight of 230.35 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-pyrrolidin-3-ylphenyl)cyclobutyl]methanamine is sourced from PubChem (CID 84793975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).