2-(2-methylpropylamino)acetaldehyde

C6H13NO — CID 19606778

IUPAC2-(2-methylpropylamino)acetaldehyde
SMILESCC(C)CNCC=O
InChIInChI=1S/C6H13NO/c1-6(2)5-7-3-4-8/h4,6-7H,3,5H2,1-2H3
InChIKeyHTQHPSIJXKLTGQ-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.43
Rot. Bonds4

About 2-(2-methylpropylamino)acetaldehyde

2-(2-methylpropylamino)acetaldehyde (PubChem CID 19606778) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 2-(2-methylpropylamino)acetaldehyde.

Molecular Properties

Compound Name2-(2-methylpropylamino)acetaldehyde
PubChem CID19606778
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name2-(2-methylpropylamino)acetaldehyde
SMILESCC(C)CNCC=O
InChIInChI=1S/C6H13NO/c1-6(2)5-7-3-4-8/h4,6-7H,3,5H2,1-2H3
InChIKeyHTQHPSIJXKLTGQ-UHFFFAOYSA-N
XLogP0.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylamino)acetaldehyde?
The IUPAC name of 2-(2-methylpropylamino)acetaldehyde (CID 19606778) is 2-(2-methylpropylamino)acetaldehyde.
What is the SMILES notation for 2-(2-methylpropylamino)acetaldehyde?
The canonical SMILES for 2-(2-methylpropylamino)acetaldehyde is CC(C)CNCC=O.
What is the InChIKey of 2-(2-methylpropylamino)acetaldehyde?
The InChIKey is HTQHPSIJXKLTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-6(2)5-7-3-4-8/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 2-(2-methylpropylamino)acetaldehyde?
2-(2-methylpropylamino)acetaldehyde has a molecular weight of 115.18 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylamino)acetaldehyde is sourced from PubChem (CID 19606778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).