N'-(2-hydroxyethyl)-2-methylpropanimidamide;hydrate

C6H16N2O2 — CID 172821400

IUPACN'-(2-hydroxyethyl)-2-methylpropanimidamide;hydrate
SMILESCC(C)/C(N)=N/CCO.O
InChIInChI=1S/C6H14N2O.H2O/c1-5(2)6(7)8-3-4-9;/h5,9H,3-4H2,1-2H3,(H2,7,8);1H2
InChIKeyUGVSZASAQKTWDI-UHFFFAOYSA-N
MW148.21 g/mol
LogP-0.83
Rot. Bonds3

About N'-(2-hydroxyethyl)-2-methylpropanimidamide;hydrate

N'-(2-hydroxyethyl)-2-methylpropanimidamide;hydrate (PubChem CID 172821400) has the molecular formula C6H16N2O2 and a molecular weight of 148.21 g/mol. Its IUPAC name is N'-(2-hydroxyethyl)-2-methylpropanimidamide;hydrate.

Molecular Properties

Compound NameN'-(2-hydroxyethyl)-2-methylpropanimidamide;hydrate
PubChem CID172821400
Molecular FormulaC6H16N2O2
Molecular Weight148.21 g/mol
Exact Mass148.12
IUPAC NameN'-(2-hydroxyethyl)-2-methylpropanimidamide;hydrate
SMILESCC(C)/C(N)=N/CCO.O
InChIInChI=1S/C6H14N2O.H2O/c1-5(2)6(7)8-3-4-9;/h5,9H,3-4H2,1-2H3,(H2,7,8);1H2
InChIKeyUGVSZASAQKTWDI-UHFFFAOYSA-N
XLogP-0.83
TPSA90.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 5-0.83
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)-2-methylpropanimidamide;hydrate?
The IUPAC name of N'-(2-hydroxyethyl)-2-methylpropanimidamide;hydrate (CID 172821400) is N'-(2-hydroxyethyl)-2-methylpropanimidamide;hydrate.
What is the SMILES notation for N'-(2-hydroxyethyl)-2-methylpropanimidamide;hydrate?
The canonical SMILES for N'-(2-hydroxyethyl)-2-methylpropanimidamide;hydrate is CC(C)/C(N)=N/CCO.O.
What is the InChIKey of N'-(2-hydroxyethyl)-2-methylpropanimidamide;hydrate?
The InChIKey is UGVSZASAQKTWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O.H2O/c1-5(2)6(7)8-3-4-9;/h5,9H,3-4H2,1-2H3,(H2,7,8);1H2.
What are the key properties of N'-(2-hydroxyethyl)-2-methylpropanimidamide;hydrate?
N'-(2-hydroxyethyl)-2-methylpropanimidamide;hydrate has a molecular weight of 148.21 g/mol, XLogP of -0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-hydroxyethyl)-2-methylpropanimidamide;hydrate is sourced from PubChem (CID 172821400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).