N-[[2-(3-ethylpiperidin-1-yl)cyclobutyl]methyl]propan-1-amine

C15H30N2 — CID 80998879

IUPACN-[[2-(3-ethylpiperidin-1-yl)cyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1CCC1N1CCCC(CC)C1
InChIInChI=1S/C15H30N2/c1-3-9-16-11-14-7-8-15(14)17-10-5-6-13(4-2)12-17/h13-16H,3-12H2,1-2H3
InChIKeyQVJMGAIQLOHXCZ-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.89
Rot. Bonds6

About N-[[2-(3-ethylpiperidin-1-yl)cyclobutyl]methyl]propan-1-amine

N-[[2-(3-ethylpiperidin-1-yl)cyclobutyl]methyl]propan-1-amine (PubChem CID 80998879) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N-[[2-(3-ethylpiperidin-1-yl)cyclobutyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-ethylpiperidin-1-yl)cyclobutyl]methyl]propan-1-amine
PubChem CID80998879
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN-[[2-(3-ethylpiperidin-1-yl)cyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1CCC1N1CCCC(CC)C1
InChIInChI=1S/C15H30N2/c1-3-9-16-11-14-7-8-15(14)17-10-5-6-13(4-2)12-17/h13-16H,3-12H2,1-2H3
InChIKeyQVJMGAIQLOHXCZ-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]propan-1-amine
CID 99805392
N-[[2-(4-cyclopentylpiperazin-1-yl)cyclobutyl]methyl]propan-1-amine
CID 80997839
N-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]methyl]propan-1-amine
CID 81005499
N-[[2-(2,3-dimethylpiperidin-1-yl)cyclobutyl]methyl]propan-1-amine
CID 80996996
N-[[2-(4-ethylazepan-1-yl)cyclobutyl]methyl]cyclopropanamine
CID 81004792
N-[[2-(4-butan-2-ylpiperazin-1-yl)cyclobutyl]methyl]propan-1-amine
CID 80999580
N-[[2-(3-propoxypiperidin-1-yl)cyclobutyl]methyl]ethanamine
CID 80997543
N-[[2-(2,2,6,6-tetramethylmorpholin-4-yl)cyclobutyl]methyl]propan-1-amine
CID 102746059
N-[[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]butan-1-amine;dihydrochloride
CID 112756302
N-[[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methyl]propan-1-amine
CID 81005492
1-cyclopropyl-3-ethylpiperidine
CID 76560892
N-[[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]methyl]propan-1-amine
CID 64738282

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethylpiperidin-1-yl)cyclobutyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(3-ethylpiperidin-1-yl)cyclobutyl]methyl]propan-1-amine (CID 80998879) is N-[[2-(3-ethylpiperidin-1-yl)cyclobutyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(3-ethylpiperidin-1-yl)cyclobutyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(3-ethylpiperidin-1-yl)cyclobutyl]methyl]propan-1-amine is CCCNCC1CCC1N1CCCC(CC)C1.
What is the InChIKey of N-[[2-(3-ethylpiperidin-1-yl)cyclobutyl]methyl]propan-1-amine?
The InChIKey is QVJMGAIQLOHXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-3-9-16-11-14-7-8-15(14)17-10-5-6-13(4-2)12-17/h13-16H,3-12H2,1-2H3.
What are the key properties of N-[[2-(3-ethylpiperidin-1-yl)cyclobutyl]methyl]propan-1-amine?
N-[[2-(3-ethylpiperidin-1-yl)cyclobutyl]methyl]propan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-ethylpiperidin-1-yl)cyclobutyl]methyl]propan-1-amine is sourced from PubChem (CID 80998879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).