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

C16H33N3 — CID 80999580

IUPACN-[[2-(4-butan-2-ylpiperazin-1-yl)cyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1CCC1N1CCN(C(C)CC)CC1
InChIInChI=1S/C16H33N3/c1-4-8-17-13-15-6-7-16(15)19-11-9-18(10-12-19)14(3)5-2/h14-17H,4-13H2,1-3H3
InChIKeyJGDVGLAWRILHDL-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.18
Rot. Bonds7

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

N-[[2-(4-butan-2-ylpiperazin-1-yl)cyclobutyl]methyl]propan-1-amine (PubChem CID 80999580) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is N-[[2-(4-butan-2-ylpiperazin-1-yl)cyclobutyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-butan-2-ylpiperazin-1-yl)cyclobutyl]methyl]propan-1-amine
PubChem CID80999580
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC NameN-[[2-(4-butan-2-ylpiperazin-1-yl)cyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1CCC1N1CCN(C(C)CC)CC1
InChIInChI=1S/C16H33N3/c1-4-8-17-13-15-6-7-16(15)19-11-9-18(10-12-19)14(3)5-2/h14-17H,4-13H2,1-3H3
InChIKeyJGDVGLAWRILHDL-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.18
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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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-butan-2-ylpiperazin-1-yl)cyclobutyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(4-butan-2-ylpiperazin-1-yl)cyclobutyl]methyl]propan-1-amine (CID 80999580) is N-[[2-(4-butan-2-ylpiperazin-1-yl)cyclobutyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(4-butan-2-ylpiperazin-1-yl)cyclobutyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(4-butan-2-ylpiperazin-1-yl)cyclobutyl]methyl]propan-1-amine is CCCNCC1CCC1N1CCN(C(C)CC)CC1.
What is the InChIKey of N-[[2-(4-butan-2-ylpiperazin-1-yl)cyclobutyl]methyl]propan-1-amine?
The InChIKey is JGDVGLAWRILHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-4-8-17-13-15-6-7-16(15)19-11-9-18(10-12-19)14(3)5-2/h14-17H,4-13H2,1-3H3.
What are the key properties of N-[[2-(4-butan-2-ylpiperazin-1-yl)cyclobutyl]methyl]propan-1-amine?
N-[[2-(4-butan-2-ylpiperazin-1-yl)cyclobutyl]methyl]propan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-butan-2-ylpiperazin-1-yl)cyclobutyl]methyl]propan-1-amine is sourced from PubChem (CID 80999580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).