N-(2-ethoxyethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine

C13H26N2O — CID 106639978

IUPACN-(2-ethoxyethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
SMILESCCOCCN(CC1CCCNC1)C1CC1
InChIInChI=1S/C13H26N2O/c1-2-16-9-8-15(13-5-6-13)11-12-4-3-7-14-10-12/h12-14H,2-11H2,1H3
InChIKeyBAHLUYLEJOVASZ-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.49
Rot. Bonds7

About N-(2-ethoxyethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine

N-(2-ethoxyethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine (PubChem CID 106639978) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
PubChem CID106639978
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(2-ethoxyethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
SMILESCCOCCN(CC1CCCNC1)C1CC1
InChIInChI=1S/C13H26N2O/c1-2-16-9-8-15(13-5-6-13)11-12-4-3-7-14-10-12/h12-14H,2-11H2,1H3
InChIKeyBAHLUYLEJOVASZ-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
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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Related Compounds

N-(piperidin-3-ylmethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropanamine
CID 106640104
N-hexyl-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624769
N-(2-ethylsulfonylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106640099
N-cyclopropyl-2-ethoxy-N-(piperidin-3-ylmethyl)ethanesulfonamide
CID 106631255
N-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639574
4-[cyclopropyl(piperidin-3-ylmethyl)amino]-2-methylbutan-2-ol
CID 106640266
N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106625038
N-ethyl-N-(piperidin-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 106624491
2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N,N-dimethylacetamide
CID 106639825
6-[cyclopropyl(piperidin-3-ylmethyl)amino]hexan-1-ol
CID 107705718
ethyl 2-[cyclobutyl(piperidin-3-ylmethyl)amino]acetate
CID 120850265
N-(2-ethoxyethyl)-N-ethylpyrrolidin-3-amine
CID 63300351

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine?
The IUPAC name of N-(2-ethoxyethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine (CID 106639978) is N-(2-ethoxyethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(2-ethoxyethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(2-ethoxyethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine is CCOCCN(CC1CCCNC1)C1CC1.
What is the InChIKey of N-(2-ethoxyethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine?
The InChIKey is BAHLUYLEJOVASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-16-9-8-15(13-5-6-13)11-12-4-3-7-14-10-12/h12-14H,2-11H2,1H3.
What are the key properties of N-(2-ethoxyethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine?
N-(2-ethoxyethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine has a molecular weight of 226.36 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine is sourced from PubChem (CID 106639978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).