N-(2,2-dimethoxyethyl)-N-propylazetidin-3-amine

C10H22N2O2 — CID 81093197

IUPACN-(2,2-dimethoxyethyl)-N-propylazetidin-3-amine
SMILESCCCN(CC(OC)OC)C1CNC1
InChIInChI=1S/C10H22N2O2/c1-4-5-12(9-6-11-7-9)8-10(13-2)14-3/h9-11H,4-8H2,1-3H3
InChIKeyWFUIQQQPMCWORY-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.29
Rot. Bonds7

About N-(2,2-dimethoxyethyl)-N-propylazetidin-3-amine

N-(2,2-dimethoxyethyl)-N-propylazetidin-3-amine (PubChem CID 81093197) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-N-propylazetidin-3-amine.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-N-propylazetidin-3-amine
PubChem CID81093197
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC NameN-(2,2-dimethoxyethyl)-N-propylazetidin-3-amine
SMILESCCCN(CC(OC)OC)C1CNC1
InChIInChI=1S/C10H22N2O2/c1-4-5-12(9-6-11-7-9)8-10(13-2)14-3/h9-11H,4-8H2,1-3H3
InChIKeyWFUIQQQPMCWORY-UHFFFAOYSA-N
XLogP0.29
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxy-2-methylpropyl)-N-propylazetidin-3-amine
CID 116502188
N-(2-methylbutyl)-N-propylazetidin-3-amine
CID 66183920
N-(3-methylbutyl)-N-propylazetidin-3-amine
CID 66182647
N-butyl-N-(2,2-dimethoxyethyl)cyclopropanamine
CID 66222322
N-[2-(2-methoxyethoxy)ethyl]-N-propylazetidin-3-amine
CID 66215881
N-(2,2-dimethoxyethyl)-N-ethylpiperidin-4-amine
CID 66220831
N-[3-(2-methoxyethoxy)propyl]-N-propylazetidin-3-amine
CID 103411100
N-(2,2-dimethoxyethyl)-N-(2-methoxyethyl)cyclopropanamine
CID 66222965
3-[azetidin-3-yl(propyl)amino]propan-1-ol
CID 66215108
N-(2-methylprop-2-enyl)-N-propylazetidin-3-amine
CID 66215524
N-but-3-ynyl-N-propylazetidin-3-amine
CID 66214886
N,N-bis(3-methylbutyl)azetidin-3-amine
CID 102672532

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-N-propylazetidin-3-amine?
The IUPAC name of N-(2,2-dimethoxyethyl)-N-propylazetidin-3-amine (CID 81093197) is N-(2,2-dimethoxyethyl)-N-propylazetidin-3-amine.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-N-propylazetidin-3-amine?
The canonical SMILES for N-(2,2-dimethoxyethyl)-N-propylazetidin-3-amine is CCCN(CC(OC)OC)C1CNC1.
What is the InChIKey of N-(2,2-dimethoxyethyl)-N-propylazetidin-3-amine?
The InChIKey is WFUIQQQPMCWORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-4-5-12(9-6-11-7-9)8-10(13-2)14-3/h9-11H,4-8H2,1-3H3.
What are the key properties of N-(2,2-dimethoxyethyl)-N-propylazetidin-3-amine?
N-(2,2-dimethoxyethyl)-N-propylazetidin-3-amine has a molecular weight of 202.30 g/mol, XLogP of 0.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-N-propylazetidin-3-amine is sourced from PubChem (CID 81093197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).