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

C14H27N3 — CID 80998208

IUPACN-[[2-(4-ethylpiperazin-1-yl)cyclobutyl]methyl]cyclopropanamine
SMILESCCN1CCN(C2CCC2CNC2CC2)CC1
InChIInChI=1S/C14H27N3/c1-2-16-7-9-17(10-8-16)14-6-3-12(14)11-15-13-4-5-13/h12-15H,2-11H2,1H3
InChIKeyCFIKTATVZPLCEF-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.15
Rot. Bonds5

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

N-[[2-(4-ethylpiperazin-1-yl)cyclobutyl]methyl]cyclopropanamine (PubChem CID 80998208) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-[[2-(4-ethylpiperazin-1-yl)cyclobutyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4-ethylpiperazin-1-yl)cyclobutyl]methyl]cyclopropanamine
PubChem CID80998208
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-[[2-(4-ethylpiperazin-1-yl)cyclobutyl]methyl]cyclopropanamine
SMILESCCN1CCN(C2CCC2CNC2CC2)CC1
InChIInChI=1S/C14H27N3/c1-2-16-7-9-17(10-8-16)14-6-3-12(14)11-15-13-4-5-13/h12-15H,2-11H2,1H3
InChIKeyCFIKTATVZPLCEF-UHFFFAOYSA-N
XLogP1.15
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.15
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]cyclopropanamine?
The IUPAC name of N-[[2-(4-ethylpiperazin-1-yl)cyclobutyl]methyl]cyclopropanamine (CID 80998208) is N-[[2-(4-ethylpiperazin-1-yl)cyclobutyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4-ethylpiperazin-1-yl)cyclobutyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4-ethylpiperazin-1-yl)cyclobutyl]methyl]cyclopropanamine is CCN1CCN(C2CCC2CNC2CC2)CC1.
What is the InChIKey of N-[[2-(4-ethylpiperazin-1-yl)cyclobutyl]methyl]cyclopropanamine?
The InChIKey is CFIKTATVZPLCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-2-16-7-9-17(10-8-16)14-6-3-12(14)11-15-13-4-5-13/h12-15H,2-11H2,1H3.
What are the key properties of N-[[2-(4-ethylpiperazin-1-yl)cyclobutyl]methyl]cyclopropanamine?
N-[[2-(4-ethylpiperazin-1-yl)cyclobutyl]methyl]cyclopropanamine has a molecular weight of 237.39 g/mol, XLogP of 1.15, 5 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]cyclopropanamine is sourced from PubChem (CID 80998208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).