N-[[2-(4-cyclopentylpiperazin-1-yl)cyclobutyl]methyl]propan-1-amine

C17H33N3 — CID 80997839

IUPACN-[[2-(4-cyclopentylpiperazin-1-yl)cyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1CCC1N1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H33N3/c1-2-9-18-14-15-7-8-17(15)20-12-10-19(11-13-20)16-5-3-4-6-16/h15-18H,2-14H2,1H3
InChIKeySMFHBAXREORSSI-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.32
Rot. Bonds6

About N-[[2-(4-cyclopentylpiperazin-1-yl)cyclobutyl]methyl]propan-1-amine

N-[[2-(4-cyclopentylpiperazin-1-yl)cyclobutyl]methyl]propan-1-amine (PubChem CID 80997839) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is N-[[2-(4-cyclopentylpiperazin-1-yl)cyclobutyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-cyclopentylpiperazin-1-yl)cyclobutyl]methyl]propan-1-amine
PubChem CID80997839
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC NameN-[[2-(4-cyclopentylpiperazin-1-yl)cyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1CCC1N1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H33N3/c1-2-9-18-14-15-7-8-17(15)20-12-10-19(11-13-20)16-5-3-4-6-16/h15-18H,2-14H2,1H3
InChIKeySMFHBAXREORSSI-UHFFFAOYSA-N
XLogP2.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-butan-2-ylpiperazin-1-yl)cyclobutyl]methyl]propan-1-amine
CID 80999580
N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclobutyl]methyl]ethanamine
CID 81004630
N-[[2-(3-ethylpiperidin-1-yl)cyclobutyl]methyl]propan-1-amine
CID 80998879
N-[[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methyl]propan-1-amine
CID 81005492
N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)cyclobutyl]methyl]propan-1-amine
CID 82753410
N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]propan-1-amine
CID 62369763
N-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]methyl]propan-1-amine
CID 81005499
N-[[2-(2-propylpiperidin-1-yl)cyclobutyl]methyl]propan-1-amine
CID 83061780
N-[[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]butan-1-amine;dihydrochloride
CID 112756302
N-[[2-(2,2,6,6-tetramethylmorpholin-4-yl)cyclobutyl]methyl]propan-1-amine
CID 102746059
N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 81005677

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-cyclopentylpiperazin-1-yl)cyclobutyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(4-cyclopentylpiperazin-1-yl)cyclobutyl]methyl]propan-1-amine (CID 80997839) is N-[[2-(4-cyclopentylpiperazin-1-yl)cyclobutyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(4-cyclopentylpiperazin-1-yl)cyclobutyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(4-cyclopentylpiperazin-1-yl)cyclobutyl]methyl]propan-1-amine is CCCNCC1CCC1N1CCN(C2CCCC2)CC1.
What is the InChIKey of N-[[2-(4-cyclopentylpiperazin-1-yl)cyclobutyl]methyl]propan-1-amine?
The InChIKey is SMFHBAXREORSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-2-9-18-14-15-7-8-17(15)20-12-10-19(11-13-20)16-5-3-4-6-16/h15-18H,2-14H2,1H3.
What are the key properties of N-[[2-(4-cyclopentylpiperazin-1-yl)cyclobutyl]methyl]propan-1-amine?
N-[[2-(4-cyclopentylpiperazin-1-yl)cyclobutyl]methyl]propan-1-amine has a molecular weight of 279.47 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-cyclopentylpiperazin-1-yl)cyclobutyl]methyl]propan-1-amine is sourced from PubChem (CID 80997839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).