1-(2,2-diethoxyethyl)pyrrolidin-2-imine;hydrochloride

C10H21ClN2O2 — CID 90654270

IUPAC1-(2,2-diethoxyethyl)pyrrolidin-2-imine;hydrochloride
SMILESCl.[H]/N=C1\CCCN1CC(OCC)OCC
InChIInChI=1S/C10H20N2O2.ClH/c1-3-13-10(14-4-2)8-12-7-5-6-9(12)11;/h10-11H,3-8H2,1-2H3;1H/b11-9+;
InChIKeyREDACVUGCNTCOS-LBEJWNQZSA-N
MW236.74 g/mol
LogP1.88
Rot. Bonds6

About 1-(2,2-diethoxyethyl)pyrrolidin-2-imine;hydrochloride

1-(2,2-diethoxyethyl)pyrrolidin-2-imine;hydrochloride (PubChem CID 90654270) has the molecular formula C10H21ClN2O2 and a molecular weight of 236.74 g/mol. Its IUPAC name is 1-(2,2-diethoxyethyl)pyrrolidin-2-imine;hydrochloride.

Molecular Properties

Compound Name1-(2,2-diethoxyethyl)pyrrolidin-2-imine;hydrochloride
PubChem CID90654270
Molecular FormulaC10H21ClN2O2
Molecular Weight236.74 g/mol
Exact Mass236.13
IUPAC Name1-(2,2-diethoxyethyl)pyrrolidin-2-imine;hydrochloride
SMILESCl.[H]/N=C1\CCCN1CC(OCC)OCC
InChIInChI=1S/C10H20N2O2.ClH/c1-3-13-10(14-4-2)8-12-7-5-6-9(12)11;/h10-11H,3-8H2,1-2H3;1H/b11-9+;
InChIKeyREDACVUGCNTCOS-LBEJWNQZSA-N
XLogP1.88
TPSA45.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.74
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethoxyethyl)pyrrolidin-2-imine;hydrochloride?
The IUPAC name of 1-(2,2-diethoxyethyl)pyrrolidin-2-imine;hydrochloride (CID 90654270) is 1-(2,2-diethoxyethyl)pyrrolidin-2-imine;hydrochloride.
What is the SMILES notation for 1-(2,2-diethoxyethyl)pyrrolidin-2-imine;hydrochloride?
The canonical SMILES for 1-(2,2-diethoxyethyl)pyrrolidin-2-imine;hydrochloride is Cl.[H]/N=C1\CCCN1CC(OCC)OCC.
What is the InChIKey of 1-(2,2-diethoxyethyl)pyrrolidin-2-imine;hydrochloride?
The InChIKey is REDACVUGCNTCOS-LBEJWNQZSA-N. The full InChI is InChI=1S/C10H20N2O2.ClH/c1-3-13-10(14-4-2)8-12-7-5-6-9(12)11;/h10-11H,3-8H2,1-2H3;1H/b11-9+;.
What are the key properties of 1-(2,2-diethoxyethyl)pyrrolidin-2-imine;hydrochloride?
1-(2,2-diethoxyethyl)pyrrolidin-2-imine;hydrochloride has a molecular weight of 236.74 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethoxyethyl)pyrrolidin-2-imine;hydrochloride is sourced from PubChem (CID 90654270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).