N-ethylazetidin-3-amine;dihydrochloride

C5H14Cl2N2 — CID 22121198

IUPACN-ethylazetidin-3-amine;dihydrochloride
SMILESCCNC1CNC1.Cl.Cl
InChIInChI=1S/C5H12N2.2ClH/c1-2-7-5-3-6-4-5;;/h5-7H,2-4H2,1H3;2*1H
InChIKeyIETLPNNWMHRUGS-UHFFFAOYSA-N
MW173.09 g/mol
LogP0.41
Rot. Bonds2

About N-ethylazetidin-3-amine;dihydrochloride

N-ethylazetidin-3-amine;dihydrochloride (PubChem CID 22121198) has the molecular formula C5H14Cl2N2 and a molecular weight of 173.09 g/mol. Its IUPAC name is N-ethylazetidin-3-amine;dihydrochloride.

Molecular Properties

Compound NameN-ethylazetidin-3-amine;dihydrochloride
PubChem CID22121198
Molecular FormulaC5H14Cl2N2
Molecular Weight173.09 g/mol
Exact Mass172.05
IUPAC NameN-ethylazetidin-3-amine;dihydrochloride
SMILESCCNC1CNC1.Cl.Cl
InChIInChI=1S/C5H12N2.2ClH/c1-2-7-5-3-6-4-5;;/h5-7H,2-4H2,1H3;2*1H
InChIKeyIETLPNNWMHRUGS-UHFFFAOYSA-N
XLogP0.41
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.09
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethylazetidin-3-amine;dihydrochloride?
The IUPAC name of N-ethylazetidin-3-amine;dihydrochloride (CID 22121198) is N-ethylazetidin-3-amine;dihydrochloride.
What is the SMILES notation for N-ethylazetidin-3-amine;dihydrochloride?
The canonical SMILES for N-ethylazetidin-3-amine;dihydrochloride is CCNC1CNC1.Cl.Cl.
What is the InChIKey of N-ethylazetidin-3-amine;dihydrochloride?
The InChIKey is IETLPNNWMHRUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.2ClH/c1-2-7-5-3-6-4-5;;/h5-7H,2-4H2,1H3;2*1H.
What are the key properties of N-ethylazetidin-3-amine;dihydrochloride?
N-ethylazetidin-3-amine;dihydrochloride has a molecular weight of 173.09 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylazetidin-3-amine;dihydrochloride is sourced from PubChem (CID 22121198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).