N-(1-hydroxyethyl)-N-propan-2-ylformamide

C6H13NO2 — CID 173056089

IUPACN-(1-hydroxyethyl)-N-propan-2-ylformamide
SMILESCC(C)N(C=O)C(C)O
InChIInChI=1S/C6H13NO2/c1-5(2)7(4-8)6(3)9/h4-6,9H,1-3H3
InChIKeyCBIQBXVXWZQWJZ-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.19
Rot. Bonds3

About N-(1-hydroxyethyl)-N-propan-2-ylformamide

N-(1-hydroxyethyl)-N-propan-2-ylformamide (PubChem CID 173056089) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is N-(1-hydroxyethyl)-N-propan-2-ylformamide.

Molecular Properties

Compound NameN-(1-hydroxyethyl)-N-propan-2-ylformamide
PubChem CID173056089
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC NameN-(1-hydroxyethyl)-N-propan-2-ylformamide
SMILESCC(C)N(C=O)C(C)O
InChIInChI=1S/C6H13NO2/c1-5(2)7(4-8)6(3)9/h4-6,9H,1-3H3
InChIKeyCBIQBXVXWZQWJZ-UHFFFAOYSA-N
XLogP0.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxyethyl)-N-propan-2-ylformamide?
The IUPAC name of N-(1-hydroxyethyl)-N-propan-2-ylformamide (CID 173056089) is N-(1-hydroxyethyl)-N-propan-2-ylformamide.
What is the SMILES notation for N-(1-hydroxyethyl)-N-propan-2-ylformamide?
The canonical SMILES for N-(1-hydroxyethyl)-N-propan-2-ylformamide is CC(C)N(C=O)C(C)O.
What is the InChIKey of N-(1-hydroxyethyl)-N-propan-2-ylformamide?
The InChIKey is CBIQBXVXWZQWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-5(2)7(4-8)6(3)9/h4-6,9H,1-3H3.
What are the key properties of N-(1-hydroxyethyl)-N-propan-2-ylformamide?
N-(1-hydroxyethyl)-N-propan-2-ylformamide has a molecular weight of 131.18 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxyethyl)-N-propan-2-ylformamide is sourced from PubChem (CID 173056089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).