N-[[2-(4-ethylpiperazin-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine

C15H31N3 — CID 80998209

IUPACN-[[2-(4-ethylpiperazin-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine
SMILESCCN1CCN(C2CCC2CNCC(C)C)CC1
InChIInChI=1S/C15H31N3/c1-4-17-7-9-18(10-8-17)15-6-5-14(15)12-16-11-13(2)3/h13-16H,4-12H2,1-3H3
InChIKeyAXSJPPSBURXCQU-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.65
Rot. Bonds6

About N-[[2-(4-ethylpiperazin-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine

N-[[2-(4-ethylpiperazin-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine (PubChem CID 80998209) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[[2-(4-ethylpiperazin-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-ethylpiperazin-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine
PubChem CID80998209
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN-[[2-(4-ethylpiperazin-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine
SMILESCCN1CCN(C2CCC2CNCC(C)C)CC1
InChIInChI=1S/C15H31N3/c1-4-17-7-9-18(10-8-17)15-6-5-14(15)12-16-11-13(2)3/h13-16H,4-12H2,1-3H3
InChIKeyAXSJPPSBURXCQU-UHFFFAOYSA-N
XLogP1.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethylpiperazin-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(4-ethylpiperazin-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine (CID 80998209) is N-[[2-(4-ethylpiperazin-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(4-ethylpiperazin-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(4-ethylpiperazin-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine is CCN1CCN(C2CCC2CNCC(C)C)CC1.
What is the InChIKey of N-[[2-(4-ethylpiperazin-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine?
The InChIKey is AXSJPPSBURXCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-4-17-7-9-18(10-8-17)15-6-5-14(15)12-16-11-13(2)3/h13-16H,4-12H2,1-3H3.
What are the key properties of N-[[2-(4-ethylpiperazin-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine?
N-[[2-(4-ethylpiperazin-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethylpiperazin-1-yl)cyclobutyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 80998209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).