2-(propan-2-ylamino)acetaldehyde

C5H11NO — CID 19606775

IUPAC2-(propan-2-ylamino)acetaldehyde
SMILESCC(C)NCC=O
InChIInChI=1S/C5H11NO/c1-5(2)6-3-4-7/h4-6H,3H2,1-2H3
InChIKeyKGRKGIQSADVUNN-UHFFFAOYSA-N
MW101.15 g/mol
LogP0.18
Rot. Bonds3

About 2-(propan-2-ylamino)acetaldehyde

2-(propan-2-ylamino)acetaldehyde (PubChem CID 19606775) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is 2-(propan-2-ylamino)acetaldehyde.

Molecular Properties

Compound Name2-(propan-2-ylamino)acetaldehyde
PubChem CID19606775
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name2-(propan-2-ylamino)acetaldehyde
SMILESCC(C)NCC=O
InChIInChI=1S/C5H11NO/c1-5(2)6-3-4-7/h4-6H,3H2,1-2H3
InChIKeyKGRKGIQSADVUNN-UHFFFAOYSA-N
XLogP0.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)acetaldehyde?
The IUPAC name of 2-(propan-2-ylamino)acetaldehyde (CID 19606775) is 2-(propan-2-ylamino)acetaldehyde.
What is the SMILES notation for 2-(propan-2-ylamino)acetaldehyde?
The canonical SMILES for 2-(propan-2-ylamino)acetaldehyde is CC(C)NCC=O.
What is the InChIKey of 2-(propan-2-ylamino)acetaldehyde?
The InChIKey is KGRKGIQSADVUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-5(2)6-3-4-7/h4-6H,3H2,1-2H3.
What are the key properties of 2-(propan-2-ylamino)acetaldehyde?
2-(propan-2-ylamino)acetaldehyde has a molecular weight of 101.15 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)acetaldehyde is sourced from PubChem (CID 19606775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).