N-[3-(4-ethoxypiperidin-1-yl)propyl]cyclopropanamine

C13H26N2O — CID 61217221

IUPACN-[3-(4-ethoxypiperidin-1-yl)propyl]cyclopropanamine
SMILESCCOC1CCN(CCCNC2CC2)CC1
InChIInChI=1S/C13H26N2O/c1-2-16-13-6-10-15(11-7-13)9-3-8-14-12-4-5-12/h12-14H,2-11H2,1H3
InChIKeyQQMIAZYMFOMIHO-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds7

About N-[3-(4-ethoxypiperidin-1-yl)propyl]cyclopropanamine

N-[3-(4-ethoxypiperidin-1-yl)propyl]cyclopropanamine (PubChem CID 61217221) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[3-(4-ethoxypiperidin-1-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(4-ethoxypiperidin-1-yl)propyl]cyclopropanamine
PubChem CID61217221
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[3-(4-ethoxypiperidin-1-yl)propyl]cyclopropanamine
SMILESCCOC1CCN(CCCNC2CC2)CC1
InChIInChI=1S/C13H26N2O/c1-2-16-13-6-10-15(11-7-13)9-3-8-14-12-4-5-12/h12-14H,2-11H2,1H3
InChIKeyQQMIAZYMFOMIHO-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.63
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-[3-(4-ethoxypiperidin-1-yl)propyl]cyclopropanamine?
The IUPAC name of N-[3-(4-ethoxypiperidin-1-yl)propyl]cyclopropanamine (CID 61217221) is N-[3-(4-ethoxypiperidin-1-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[3-(4-ethoxypiperidin-1-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[3-(4-ethoxypiperidin-1-yl)propyl]cyclopropanamine is CCOC1CCN(CCCNC2CC2)CC1.
What is the InChIKey of N-[3-(4-ethoxypiperidin-1-yl)propyl]cyclopropanamine?
The InChIKey is QQMIAZYMFOMIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-16-13-6-10-15(11-7-13)9-3-8-14-12-4-5-12/h12-14H,2-11H2,1H3.
What are the key properties of N-[3-(4-ethoxypiperidin-1-yl)propyl]cyclopropanamine?
N-[3-(4-ethoxypiperidin-1-yl)propyl]cyclopropanamine has a molecular weight of 226.36 g/mol, XLogP of 1.63, 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)propyl]cyclopropanamine is sourced from PubChem (CID 61217221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).