N,N'-diethyl-N-(hydroxymethyl)methanimidamide

C6H14N2O — CID 155066563

IUPACN,N'-diethyl-N-(hydroxymethyl)methanimidamide
SMILESCC/N=C/N(CC)CO
InChIInChI=1S/C6H14N2O/c1-3-7-5-8(4-2)6-9/h5,9H,3-4,6H2,1-2H3/b7-5+
InChIKeySNCNHYHGBRVKFY-FNORWQNLSA-N
MW130.19 g/mol
LogP0.31
Rot. Bonds4

About N,N'-diethyl-N-(hydroxymethyl)methanimidamide

N,N'-diethyl-N-(hydroxymethyl)methanimidamide (PubChem CID 155066563) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is N,N'-diethyl-N-(hydroxymethyl)methanimidamide.

Molecular Properties

Compound NameN,N'-diethyl-N-(hydroxymethyl)methanimidamide
PubChem CID155066563
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC NameN,N'-diethyl-N-(hydroxymethyl)methanimidamide
SMILESCC/N=C/N(CC)CO
InChIInChI=1S/C6H14N2O/c1-3-7-5-8(4-2)6-9/h5,9H,3-4,6H2,1-2H3/b7-5+
InChIKeySNCNHYHGBRVKFY-FNORWQNLSA-N
XLogP0.31
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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,N'-diethyl-N-(hydroxymethyl)methanimidamide?
The IUPAC name of N,N'-diethyl-N-(hydroxymethyl)methanimidamide (CID 155066563) is N,N'-diethyl-N-(hydroxymethyl)methanimidamide.
What is the SMILES notation for N,N'-diethyl-N-(hydroxymethyl)methanimidamide?
The canonical SMILES for N,N'-diethyl-N-(hydroxymethyl)methanimidamide is CC/N=C/N(CC)CO.
What is the InChIKey of N,N'-diethyl-N-(hydroxymethyl)methanimidamide?
The InChIKey is SNCNHYHGBRVKFY-FNORWQNLSA-N. The full InChI is InChI=1S/C6H14N2O/c1-3-7-5-8(4-2)6-9/h5,9H,3-4,6H2,1-2H3/b7-5+.
What are the key properties of N,N'-diethyl-N-(hydroxymethyl)methanimidamide?
N,N'-diethyl-N-(hydroxymethyl)methanimidamide has a molecular weight of 130.19 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-N-(hydroxymethyl)methanimidamide is sourced from PubChem (CID 155066563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).