N-(2-hydroxyethyl)-N,2,2-trimethylpropanimidamide

C8H18N2O — CID 161343913

IUPACN-(2-hydroxyethyl)-N,2,2-trimethylpropanimidamide
SMILES[H]/N=C(\N(C)CCO)C(C)(C)C
InChIInChI=1S/C8H18N2O/c1-8(2,3)7(9)10(4)5-6-11/h9,11H,5-6H2,1-4H3/b9-7-
InChIKeySJVHXVCLWZTFQV-CLFYSBASSA-N
MW158.24 g/mol
LogP0.93
Rot. Bonds2

About N-(2-hydroxyethyl)-N,2,2-trimethylpropanimidamide

N-(2-hydroxyethyl)-N,2,2-trimethylpropanimidamide (PubChem CID 161343913) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N,2,2-trimethylpropanimidamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N,2,2-trimethylpropanimidamide
PubChem CID161343913
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC NameN-(2-hydroxyethyl)-N,2,2-trimethylpropanimidamide
SMILES[H]/N=C(\N(C)CCO)C(C)(C)C
InChIInChI=1S/C8H18N2O/c1-8(2,3)7(9)10(4)5-6-11/h9,11H,5-6H2,1-4H3/b9-7-
InChIKeySJVHXVCLWZTFQV-CLFYSBASSA-N
XLogP0.93
TPSA47.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.93
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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Related Compounds

N-[3-(dimethylamino)propyl]-N,2,2-trimethylpropanimidamide
CID 63726393
N,2,2-trimethyl-N-(2-phenylethyl)propanimidamide
CID 65487169
N,2,2-trimethyl-N-(2-pyrrolidin-1-ylethyl)propanimidamide
CID 63209126
N,2,2-trimethyl-N-pentan-3-ylpropanimidamide
CID 63175548
N,N-dibutyl-2,2-dimethylpropanimidamide
CID 63175509
2-iodo-N,N,2-trimethylpropanimidamide
CID 129106439
N,2,2-trimethyl-N-(1,3-thiazol-4-ylmethyl)propanimidamide
CID 63176433
N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanimidamide
CID 63177175
N-(4-fluorophenyl)-N,2,2-trimethylpropanimidamide
CID 63176690
4-[2-hydroxyethyl(methyl)amino]-2,2-dimethylbutanimidamide
CID 65252068
N-cyclopropyl-N-ethyl-2,2-dimethylpropanimidamide
CID 63176137
CID 161066727
CID 161066727

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N,2,2-trimethylpropanimidamide?
The IUPAC name of N-(2-hydroxyethyl)-N,2,2-trimethylpropanimidamide (CID 161343913) is N-(2-hydroxyethyl)-N,2,2-trimethylpropanimidamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N,2,2-trimethylpropanimidamide?
The canonical SMILES for N-(2-hydroxyethyl)-N,2,2-trimethylpropanimidamide is [H]/N=C(\N(C)CCO)C(C)(C)C.
What is the InChIKey of N-(2-hydroxyethyl)-N,2,2-trimethylpropanimidamide?
The InChIKey is SJVHXVCLWZTFQV-CLFYSBASSA-N. The full InChI is InChI=1S/C8H18N2O/c1-8(2,3)7(9)10(4)5-6-11/h9,11H,5-6H2,1-4H3/b9-7-.
What are the key properties of N-(2-hydroxyethyl)-N,2,2-trimethylpropanimidamide?
N-(2-hydroxyethyl)-N,2,2-trimethylpropanimidamide has a molecular weight of 158.24 g/mol, XLogP of 0.93, 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,2,2-trimethylpropanimidamide is sourced from PubChem (CID 161343913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).