5-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpentanimidamide

C10H23N3O — CID 65259452

IUPAC5-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN(C)CCO
InChIInChI=1S/C10H23N3O/c1-10(2,9(11)12)5-4-6-13(3)7-8-14/h14H,4-8H2,1-3H3,(H3,11,12)
InChIKeyVQCLLFASYXCQFQ-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.65
Rot. Bonds7

About 5-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpentanimidamide

5-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpentanimidamide (PubChem CID 65259452) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 5-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpentanimidamide
PubChem CID65259452
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name5-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN(C)CCO
InChIInChI=1S/C10H23N3O/c1-10(2,9(11)12)5-4-6-13(3)7-8-14/h14H,4-8H2,1-3H3,(H3,11,12)
InChIKeyVQCLLFASYXCQFQ-UHFFFAOYSA-N
XLogP0.65
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 5-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpentanimidamide?
The IUPAC name of 5-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpentanimidamide (CID 65259452) is 5-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpentanimidamide is [H]/N=C(\N)C(C)(C)CCCN(C)CCO.
What is the InChIKey of 5-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpentanimidamide?
The InChIKey is VQCLLFASYXCQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-10(2,9(11)12)5-4-6-13(3)7-8-14/h14H,4-8H2,1-3H3,(H3,11,12).
What are the key properties of 5-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpentanimidamide?
5-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpentanimidamide has a molecular weight of 201.31 g/mol, XLogP of 0.65, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxyethyl(methyl)amino]-2,2-dimethylpentanimidamide is sourced from PubChem (CID 65259452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).