N-[3-(4-ethoxypiperidin-1-yl)-2,2-dimethylpropyl]cyclopropanamine

C15H30N2O — CID 62256366

IUPACN-[3-(4-ethoxypiperidin-1-yl)-2,2-dimethylpropyl]cyclopropanamine
SMILESCCOC1CCN(CC(C)(C)CNC2CC2)CC1
InChIInChI=1S/C15H30N2O/c1-4-18-14-7-9-17(10-8-14)12-15(2,3)11-16-13-5-6-13/h13-14,16H,4-12H2,1-3H3
InChIKeyYUCUFIDPXLFNSZ-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.27
Rot. Bonds7

About N-[3-(4-ethoxypiperidin-1-yl)-2,2-dimethylpropyl]cyclopropanamine

N-[3-(4-ethoxypiperidin-1-yl)-2,2-dimethylpropyl]cyclopropanamine (PubChem CID 62256366) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[3-(4-ethoxypiperidin-1-yl)-2,2-dimethylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(4-ethoxypiperidin-1-yl)-2,2-dimethylpropyl]cyclopropanamine
PubChem CID62256366
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-[3-(4-ethoxypiperidin-1-yl)-2,2-dimethylpropyl]cyclopropanamine
SMILESCCOC1CCN(CC(C)(C)CNC2CC2)CC1
InChIInChI=1S/C15H30N2O/c1-4-18-14-7-9-17(10-8-14)12-15(2,3)11-16-13-5-6-13/h13-14,16H,4-12H2,1-3H3
InChIKeyYUCUFIDPXLFNSZ-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethoxypiperidin-1-yl)-2,2-dimethylpropyl]cyclopropanamine?
The IUPAC name of N-[3-(4-ethoxypiperidin-1-yl)-2,2-dimethylpropyl]cyclopropanamine (CID 62256366) is N-[3-(4-ethoxypiperidin-1-yl)-2,2-dimethylpropyl]cyclopropanamine.
What is the SMILES notation for N-[3-(4-ethoxypiperidin-1-yl)-2,2-dimethylpropyl]cyclopropanamine?
The canonical SMILES for N-[3-(4-ethoxypiperidin-1-yl)-2,2-dimethylpropyl]cyclopropanamine is CCOC1CCN(CC(C)(C)CNC2CC2)CC1.
What is the InChIKey of N-[3-(4-ethoxypiperidin-1-yl)-2,2-dimethylpropyl]cyclopropanamine?
The InChIKey is YUCUFIDPXLFNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-18-14-7-9-17(10-8-14)12-15(2,3)11-16-13-5-6-13/h13-14,16H,4-12H2,1-3H3.
What are the key properties of N-[3-(4-ethoxypiperidin-1-yl)-2,2-dimethylpropyl]cyclopropanamine?
N-[3-(4-ethoxypiperidin-1-yl)-2,2-dimethylpropyl]cyclopropanamine has a molecular weight of 254.42 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethoxypiperidin-1-yl)-2,2-dimethylpropyl]cyclopropanamine is sourced from PubChem (CID 62256366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).