N-[2-[(3-ethoxypiperidin-1-yl)methyl]-2-ethylbutyl]cyclopropanamine

C17H34N2O — CID 62270798

IUPACN-[2-[(3-ethoxypiperidin-1-yl)methyl]-2-ethylbutyl]cyclopropanamine
SMILESCCOC1CCCN(CC(CC)(CC)CNC2CC2)C1
InChIInChI=1S/C17H34N2O/c1-4-17(5-2,13-18-15-9-10-15)14-19-11-7-8-16(12-19)20-6-3/h15-16,18H,4-14H2,1-3H3
InChIKeyFJXWBZONLFRAGT-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.05
Rot. Bonds9

About N-[2-[(3-ethoxypiperidin-1-yl)methyl]-2-ethylbutyl]cyclopropanamine

N-[2-[(3-ethoxypiperidin-1-yl)methyl]-2-ethylbutyl]cyclopropanamine (PubChem CID 62270798) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is N-[2-[(3-ethoxypiperidin-1-yl)methyl]-2-ethylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(3-ethoxypiperidin-1-yl)methyl]-2-ethylbutyl]cyclopropanamine
PubChem CID62270798
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC NameN-[2-[(3-ethoxypiperidin-1-yl)methyl]-2-ethylbutyl]cyclopropanamine
SMILESCCOC1CCCN(CC(CC)(CC)CNC2CC2)C1
InChIInChI=1S/C17H34N2O/c1-4-17(5-2,13-18-15-9-10-15)14-19-11-7-8-16(12-19)20-6-3/h15-16,18H,4-14H2,1-3H3
InChIKeyFJXWBZONLFRAGT-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-ethoxypiperidin-1-yl)methyl]-2-ethylbutyl]cyclopropanamine?
The IUPAC name of N-[2-[(3-ethoxypiperidin-1-yl)methyl]-2-ethylbutyl]cyclopropanamine (CID 62270798) is N-[2-[(3-ethoxypiperidin-1-yl)methyl]-2-ethylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(3-ethoxypiperidin-1-yl)methyl]-2-ethylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-[(3-ethoxypiperidin-1-yl)methyl]-2-ethylbutyl]cyclopropanamine is CCOC1CCCN(CC(CC)(CC)CNC2CC2)C1.
What is the InChIKey of N-[2-[(3-ethoxypiperidin-1-yl)methyl]-2-ethylbutyl]cyclopropanamine?
The InChIKey is FJXWBZONLFRAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-4-17(5-2,13-18-15-9-10-15)14-19-11-7-8-16(12-19)20-6-3/h15-16,18H,4-14H2,1-3H3.
What are the key properties of N-[2-[(3-ethoxypiperidin-1-yl)methyl]-2-ethylbutyl]cyclopropanamine?
N-[2-[(3-ethoxypiperidin-1-yl)methyl]-2-ethylbutyl]cyclopropanamine has a molecular weight of 282.47 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-ethoxypiperidin-1-yl)methyl]-2-ethylbutyl]cyclopropanamine is sourced from PubChem (CID 62270798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).