N-tert-butyl-N'-(2-hydroxyethyl)methanimidamide

C7H16N2O — CID 55299864

IUPACN-tert-butyl-N'-(2-hydroxyethyl)methanimidamide
SMILESCC(C)(C)N/C=N/CCO
InChIInChI=1S/C7H16N2O/c1-7(2,3)9-6-8-4-5-10/h6,10H,4-5H2,1-3H3,(H,8,9)
InChIKeyYZIPNTPTOBBIFF-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.40
Rot. Bonds3

About N-tert-butyl-N'-(2-hydroxyethyl)methanimidamide

N-tert-butyl-N'-(2-hydroxyethyl)methanimidamide (PubChem CID 55299864) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is N-tert-butyl-N'-(2-hydroxyethyl)methanimidamide.

Molecular Properties

Compound NameN-tert-butyl-N'-(2-hydroxyethyl)methanimidamide
PubChem CID55299864
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC NameN-tert-butyl-N'-(2-hydroxyethyl)methanimidamide
SMILESCC(C)(C)N/C=N/CCO
InChIInChI=1S/C7H16N2O/c1-7(2,3)9-6-8-4-5-10/h6,10H,4-5H2,1-3H3,(H,8,9)
InChIKeyYZIPNTPTOBBIFF-UHFFFAOYSA-N
XLogP0.40
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.40
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-tert-butyl-N'-(2-hydroxyethyl)methanimidamide?
The IUPAC name of N-tert-butyl-N'-(2-hydroxyethyl)methanimidamide (CID 55299864) is N-tert-butyl-N'-(2-hydroxyethyl)methanimidamide.
What is the SMILES notation for N-tert-butyl-N'-(2-hydroxyethyl)methanimidamide?
The canonical SMILES for N-tert-butyl-N'-(2-hydroxyethyl)methanimidamide is CC(C)(C)N/C=N/CCO.
What is the InChIKey of N-tert-butyl-N'-(2-hydroxyethyl)methanimidamide?
The InChIKey is YZIPNTPTOBBIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-7(2,3)9-6-8-4-5-10/h6,10H,4-5H2,1-3H3,(H,8,9).
What are the key properties of N-tert-butyl-N'-(2-hydroxyethyl)methanimidamide?
N-tert-butyl-N'-(2-hydroxyethyl)methanimidamide has a molecular weight of 144.22 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-(2-hydroxyethyl)methanimidamide is sourced from PubChem (CID 55299864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).