N,N-bis(2-methoxyethyl)azetidin-3-amine;dihydrochloride

C9H22Cl2N2O2 — CID 122163592

IUPACN,N-bis(2-methoxyethyl)azetidin-3-amine;dihydrochloride
SMILESCOCCN(CCOC)C1CNC1.Cl.Cl
InChIInChI=1S/C9H20N2O2.2ClH/c1-12-5-3-11(4-6-13-2)9-7-10-8-9;;/h9-10H,3-8H2,1-2H3;2*1H
InChIKeyBRFNYERFKFFCGW-UHFFFAOYSA-N
MW261.19 g/mol
LogP0.40
Rot. Bonds7

About N,N-bis(2-methoxyethyl)azetidin-3-amine;dihydrochloride

N,N-bis(2-methoxyethyl)azetidin-3-amine;dihydrochloride (PubChem CID 122163592) has the molecular formula C9H22Cl2N2O2 and a molecular weight of 261.19 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)azetidin-3-amine;dihydrochloride.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)azetidin-3-amine;dihydrochloride
PubChem CID122163592
Molecular FormulaC9H22Cl2N2O2
Molecular Weight261.19 g/mol
Exact Mass260.11
IUPAC NameN,N-bis(2-methoxyethyl)azetidin-3-amine;dihydrochloride
SMILESCOCCN(CCOC)C1CNC1.Cl.Cl
InChIInChI=1S/C9H20N2O2.2ClH/c1-12-5-3-11(4-6-13-2)9-7-10-8-9;;/h9-10H,3-8H2,1-2H3;2*1H
InChIKeyBRFNYERFKFFCGW-UHFFFAOYSA-N
XLogP0.40
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.19
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)azetidin-3-amine;dihydrochloride?
The IUPAC name of N,N-bis(2-methoxyethyl)azetidin-3-amine;dihydrochloride (CID 122163592) is N,N-bis(2-methoxyethyl)azetidin-3-amine;dihydrochloride.
What is the SMILES notation for N,N-bis(2-methoxyethyl)azetidin-3-amine;dihydrochloride?
The canonical SMILES for N,N-bis(2-methoxyethyl)azetidin-3-amine;dihydrochloride is COCCN(CCOC)C1CNC1.Cl.Cl.
What is the InChIKey of N,N-bis(2-methoxyethyl)azetidin-3-amine;dihydrochloride?
The InChIKey is BRFNYERFKFFCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2.2ClH/c1-12-5-3-11(4-6-13-2)9-7-10-8-9;;/h9-10H,3-8H2,1-2H3;2*1H.
What are the key properties of N,N-bis(2-methoxyethyl)azetidin-3-amine;dihydrochloride?
N,N-bis(2-methoxyethyl)azetidin-3-amine;dihydrochloride has a molecular weight of 261.19 g/mol, XLogP of 0.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)azetidin-3-amine;dihydrochloride is sourced from PubChem (CID 122163592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).