N-(2-hydroxyethyl)-N-methylethanimidamide

C5H12N2O — CID 59020976

IUPACN-(2-hydroxyethyl)-N-methylethanimidamide
SMILES[H]/N=C(\C)N(C)CCO
InChIInChI=1S/C5H12N2O/c1-5(6)7(2)3-4-8/h6,8H,3-4H2,1-2H3/b6-5+
InChIKeyQEFQIFPNNSKHDF-AATRIKPKSA-N
MW116.16 g/mol
LogP-0.09
Rot. Bonds2

About N-(2-hydroxyethyl)-N-methylethanimidamide

N-(2-hydroxyethyl)-N-methylethanimidamide (PubChem CID 59020976) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methylethanimidamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methylethanimidamide
PubChem CID59020976
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC NameN-(2-hydroxyethyl)-N-methylethanimidamide
SMILES[H]/N=C(\C)N(C)CCO
InChIInChI=1S/C5H12N2O/c1-5(6)7(2)3-4-8/h6,8H,3-4H2,1-2H3/b6-5+
InChIKeyQEFQIFPNNSKHDF-AATRIKPKSA-N
XLogP-0.09
TPSA47.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methylethanimidamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methylethanimidamide (CID 59020976) is N-(2-hydroxyethyl)-N-methylethanimidamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methylethanimidamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methylethanimidamide is [H]/N=C(\C)N(C)CCO.
What is the InChIKey of N-(2-hydroxyethyl)-N-methylethanimidamide?
The InChIKey is QEFQIFPNNSKHDF-AATRIKPKSA-N. The full InChI is InChI=1S/C5H12N2O/c1-5(6)7(2)3-4-8/h6,8H,3-4H2,1-2H3/b6-5+.
What are the key properties of N-(2-hydroxyethyl)-N-methylethanimidamide?
N-(2-hydroxyethyl)-N-methylethanimidamide has a molecular weight of 116.16 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methylethanimidamide is sourced from PubChem (CID 59020976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).