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

C10H21NO3 — CID 66222965

IUPACN-(2,2-dimethoxyethyl)-N-(2-methoxyethyl)cyclopropanamine
SMILESCOCCN(CC(OC)OC)C1CC1
InChIInChI=1S/C10H21NO3/c1-12-7-6-11(9-4-5-9)8-10(13-2)14-3/h9-10H,4-8H2,1-3H3
InChIKeyQNWNQJGALLQOIV-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.72
Rot. Bonds8

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

N-(2,2-dimethoxyethyl)-N-(2-methoxyethyl)cyclopropanamine (PubChem CID 66222965) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-N-(2-methoxyethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-N-(2-methoxyethyl)cyclopropanamine
PubChem CID66222965
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC NameN-(2,2-dimethoxyethyl)-N-(2-methoxyethyl)cyclopropanamine
SMILESCOCCN(CC(OC)OC)C1CC1
InChIInChI=1S/C10H21NO3/c1-12-7-6-11(9-4-5-9)8-10(13-2)14-3/h9-10H,4-8H2,1-3H3
InChIKeyQNWNQJGALLQOIV-UHFFFAOYSA-N
XLogP0.72
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2,2-dimethoxyethyl)-N-(2-methoxyethyl)cyclopropanamine?
The IUPAC name of N-(2,2-dimethoxyethyl)-N-(2-methoxyethyl)cyclopropanamine (CID 66222965) is N-(2,2-dimethoxyethyl)-N-(2-methoxyethyl)cyclopropanamine.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-N-(2-methoxyethyl)cyclopropanamine?
The canonical SMILES for N-(2,2-dimethoxyethyl)-N-(2-methoxyethyl)cyclopropanamine is COCCN(CC(OC)OC)C1CC1.
What is the InChIKey of N-(2,2-dimethoxyethyl)-N-(2-methoxyethyl)cyclopropanamine?
The InChIKey is QNWNQJGALLQOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-12-7-6-11(9-4-5-9)8-10(13-2)14-3/h9-10H,4-8H2,1-3H3.
What are the key properties of N-(2,2-dimethoxyethyl)-N-(2-methoxyethyl)cyclopropanamine?
N-(2,2-dimethoxyethyl)-N-(2-methoxyethyl)cyclopropanamine has a molecular weight of 203.28 g/mol, XLogP of 0.72, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-N-(2-methoxyethyl)cyclopropanamine is sourced from PubChem (CID 66222965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).