N-ethyl-N-propan-2-ylformamide

C6H13NO — CID 19828862

IUPACN-ethyl-N-propan-2-ylformamide
SMILESCCN(C=O)C(C)C
InChIInChI=1S/C6H13NO/c1-4-7(5-8)6(2)3/h5-6H,4H2,1-3H3
InChIKeyAIMDBKBBUWLIPG-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.87
Rot. Bonds3

About N-ethyl-N-propan-2-ylformamide

N-ethyl-N-propan-2-ylformamide (PubChem CID 19828862) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is N-ethyl-N-propan-2-ylformamide.

Molecular Properties

Compound NameN-ethyl-N-propan-2-ylformamide
PubChem CID19828862
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC NameN-ethyl-N-propan-2-ylformamide
SMILESCCN(C=O)C(C)C
InChIInChI=1S/C6H13NO/c1-4-7(5-8)6(2)3/h5-6H,4H2,1-3H3
InChIKeyAIMDBKBBUWLIPG-UHFFFAOYSA-N
XLogP0.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-propan-2-ylformamide?
The IUPAC name of N-ethyl-N-propan-2-ylformamide (CID 19828862) is N-ethyl-N-propan-2-ylformamide.
What is the SMILES notation for N-ethyl-N-propan-2-ylformamide?
The canonical SMILES for N-ethyl-N-propan-2-ylformamide is CCN(C=O)C(C)C.
What is the InChIKey of N-ethyl-N-propan-2-ylformamide?
The InChIKey is AIMDBKBBUWLIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-4-7(5-8)6(2)3/h5-6H,4H2,1-3H3.
What are the key properties of N-ethyl-N-propan-2-ylformamide?
N-ethyl-N-propan-2-ylformamide has a molecular weight of 115.18 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propan-2-ylformamide is sourced from PubChem (CID 19828862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).