N-[[2-(3-propoxypiperidin-1-yl)cyclobutyl]methyl]ethanamine

C15H30N2O — CID 80997543

IUPACN-[[2-(3-propoxypiperidin-1-yl)cyclobutyl]methyl]ethanamine
SMILESCCCOC1CCCN(C2CCC2CNCC)C1
InChIInChI=1S/C15H30N2O/c1-3-10-18-14-6-5-9-17(12-14)15-8-7-13(15)11-16-4-2/h13-16H,3-12H2,1-2H3
InChIKeyOKBFRXXREZLBFN-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.27
Rot. Bonds7

About N-[[2-(3-propoxypiperidin-1-yl)cyclobutyl]methyl]ethanamine

N-[[2-(3-propoxypiperidin-1-yl)cyclobutyl]methyl]ethanamine (PubChem CID 80997543) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[[2-(3-propoxypiperidin-1-yl)cyclobutyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3-propoxypiperidin-1-yl)cyclobutyl]methyl]ethanamine
PubChem CID80997543
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-[[2-(3-propoxypiperidin-1-yl)cyclobutyl]methyl]ethanamine
SMILESCCCOC1CCCN(C2CCC2CNCC)C1
InChIInChI=1S/C15H30N2O/c1-3-10-18-14-6-5-9-17(12-14)15-8-7-13(15)11-16-4-2/h13-16H,3-12H2,1-2H3
InChIKeyOKBFRXXREZLBFN-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclobutyl]methyl]ethanamine
CID 81004630
2-(3-propoxypiperidin-1-yl)cyclobutane-1-carboxylic acid
CID 80996695
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]ethanamine
CID 66523440
N-[[2-(3-ethylpiperidin-1-yl)cyclobutyl]methyl]propan-1-amine
CID 80998879
2-(3-propoxypiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 63075439
4-(3-propoxypiperidin-1-yl)cyclohexan-1-amine
CID 62806391
N-[[2-(2-methylmorpholin-4-yl)cyclobutyl]methyl]ethanamine
CID 80998341
3-(3-propoxypiperidin-1-yl)cyclopentan-1-amine
CID 79469566
N-[[2-(2-methylpyrrolidin-1-yl)cyclobutyl]methyl]ethanamine
CID 80998653
N-ethyl-2-[(3-propoxypiperidin-1-yl)methyl]prop-2-en-1-amine
CID 103069920
N-ethyl-2-(3-propoxypiperidin-1-yl)sulfonylethanamine
CID 54989669
3-(3-propoxypiperidin-1-yl)cyclohexan-1-amine
CID 79469432

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-propoxypiperidin-1-yl)cyclobutyl]methyl]ethanamine?
The IUPAC name of N-[[2-(3-propoxypiperidin-1-yl)cyclobutyl]methyl]ethanamine (CID 80997543) is N-[[2-(3-propoxypiperidin-1-yl)cyclobutyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3-propoxypiperidin-1-yl)cyclobutyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3-propoxypiperidin-1-yl)cyclobutyl]methyl]ethanamine is CCCOC1CCCN(C2CCC2CNCC)C1.
What is the InChIKey of N-[[2-(3-propoxypiperidin-1-yl)cyclobutyl]methyl]ethanamine?
The InChIKey is OKBFRXXREZLBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-10-18-14-6-5-9-17(12-14)15-8-7-13(15)11-16-4-2/h13-16H,3-12H2,1-2H3.
What are the key properties of N-[[2-(3-propoxypiperidin-1-yl)cyclobutyl]methyl]ethanamine?
N-[[2-(3-propoxypiperidin-1-yl)cyclobutyl]methyl]ethanamine has a molecular weight of 254.42 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-propoxypiperidin-1-yl)cyclobutyl]methyl]ethanamine is sourced from PubChem (CID 80997543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).