N-butyl-N-(2,2-dimethoxyethyl)cyclopropanamine

C11H23NO2 — CID 66222322

IUPACN-butyl-N-(2,2-dimethoxyethyl)cyclopropanamine
SMILESCCCCN(CC(OC)OC)C1CC1
InChIInChI=1S/C11H23NO2/c1-4-5-8-12(10-6-7-10)9-11(13-2)14-3/h10-11H,4-9H2,1-3H3
InChIKeyARKIFKGXAXCXHU-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.87
Rot. Bonds8

About N-butyl-N-(2,2-dimethoxyethyl)cyclopropanamine

N-butyl-N-(2,2-dimethoxyethyl)cyclopropanamine (PubChem CID 66222322) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-butyl-N-(2,2-dimethoxyethyl)cyclopropanamine.

Molecular Properties

Compound NameN-butyl-N-(2,2-dimethoxyethyl)cyclopropanamine
PubChem CID66222322
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-butyl-N-(2,2-dimethoxyethyl)cyclopropanamine
SMILESCCCCN(CC(OC)OC)C1CC1
InChIInChI=1S/C11H23NO2/c1-4-5-8-12(10-6-7-10)9-11(13-2)14-3/h10-11H,4-9H2,1-3H3
InChIKeyARKIFKGXAXCXHU-UHFFFAOYSA-N
XLogP1.87
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2,2-dimethoxyethyl)cyclopropanamine?
The IUPAC name of N-butyl-N-(2,2-dimethoxyethyl)cyclopropanamine (CID 66222322) is N-butyl-N-(2,2-dimethoxyethyl)cyclopropanamine.
What is the SMILES notation for N-butyl-N-(2,2-dimethoxyethyl)cyclopropanamine?
The canonical SMILES for N-butyl-N-(2,2-dimethoxyethyl)cyclopropanamine is CCCCN(CC(OC)OC)C1CC1.
What is the InChIKey of N-butyl-N-(2,2-dimethoxyethyl)cyclopropanamine?
The InChIKey is ARKIFKGXAXCXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-5-8-12(10-6-7-10)9-11(13-2)14-3/h10-11H,4-9H2,1-3H3.
What are the key properties of N-butyl-N-(2,2-dimethoxyethyl)cyclopropanamine?
N-butyl-N-(2,2-dimethoxyethyl)cyclopropanamine has a molecular weight of 201.31 g/mol, XLogP of 1.87, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2,2-dimethoxyethyl)cyclopropanamine is sourced from PubChem (CID 66222322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).