N-[[2-(2-methylpyrrolidin-1-yl)cyclobutyl]methyl]ethanamine

C12H24N2 — CID 80998653

IUPACN-[[2-(2-methylpyrrolidin-1-yl)cyclobutyl]methyl]ethanamine
SMILESCCNCC1CCC1N1CCCC1C
InChIInChI=1S/C12H24N2/c1-3-13-9-11-6-7-12(11)14-8-4-5-10(14)2/h10-13H,3-9H2,1-2H3
InChIKeyJYDFFPCOOODIAD-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.86
Rot. Bonds4

About N-[[2-(2-methylpyrrolidin-1-yl)cyclobutyl]methyl]ethanamine

N-[[2-(2-methylpyrrolidin-1-yl)cyclobutyl]methyl]ethanamine (PubChem CID 80998653) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-[[2-(2-methylpyrrolidin-1-yl)cyclobutyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-methylpyrrolidin-1-yl)cyclobutyl]methyl]ethanamine
PubChem CID80998653
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-[[2-(2-methylpyrrolidin-1-yl)cyclobutyl]methyl]ethanamine
SMILESCCNCC1CCC1N1CCCC1C
InChIInChI=1S/C12H24N2/c1-3-13-9-11-6-7-12(11)14-8-4-5-10(14)2/h10-13H,3-9H2,1-2H3
InChIKeyJYDFFPCOOODIAD-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylpyrrolidin-1-yl)cyclobutyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-methylpyrrolidin-1-yl)cyclobutyl]methyl]ethanamine (CID 80998653) is N-[[2-(2-methylpyrrolidin-1-yl)cyclobutyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-methylpyrrolidin-1-yl)cyclobutyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-methylpyrrolidin-1-yl)cyclobutyl]methyl]ethanamine is CCNCC1CCC1N1CCCC1C.
What is the InChIKey of N-[[2-(2-methylpyrrolidin-1-yl)cyclobutyl]methyl]ethanamine?
The InChIKey is JYDFFPCOOODIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-3-13-9-11-6-7-12(11)14-8-4-5-10(14)2/h10-13H,3-9H2,1-2H3.
What are the key properties of N-[[2-(2-methylpyrrolidin-1-yl)cyclobutyl]methyl]ethanamine?
N-[[2-(2-methylpyrrolidin-1-yl)cyclobutyl]methyl]ethanamine has a molecular weight of 196.34 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylpyrrolidin-1-yl)cyclobutyl]methyl]ethanamine is sourced from PubChem (CID 80998653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).