3-amino-2,2-dimethylpropanal

C5H11NO — CID 54484569

IUPAC3-amino-2,2-dimethylpropanal
SMILESCC(C)(C=O)CN
InChIInChI=1S/C5H11NO/c1-5(2,3-6)4-7/h4H,3,6H2,1-2H3
InChIKeyVVMQUGJVFRVQRN-UHFFFAOYSA-N
MW101.15 g/mol
LogP0.17
Rot. Bonds2

About 3-amino-2,2-dimethylpropanal

3-amino-2,2-dimethylpropanal (PubChem CID 54484569) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is 3-amino-2,2-dimethylpropanal.

Molecular Properties

Compound Name3-amino-2,2-dimethylpropanal
PubChem CID54484569
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name3-amino-2,2-dimethylpropanal
SMILESCC(C)(C=O)CN
InChIInChI=1S/C5H11NO/c1-5(2,3-6)4-7/h4H,3,6H2,1-2H3
InChIKeyVVMQUGJVFRVQRN-UHFFFAOYSA-N
XLogP0.17
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.17
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 3-amino-2,2-dimethylpropanal?
The IUPAC name of 3-amino-2,2-dimethylpropanal (CID 54484569) is 3-amino-2,2-dimethylpropanal.
What is the SMILES notation for 3-amino-2,2-dimethylpropanal?
The canonical SMILES for 3-amino-2,2-dimethylpropanal is CC(C)(C=O)CN.
What is the InChIKey of 3-amino-2,2-dimethylpropanal?
The InChIKey is VVMQUGJVFRVQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-5(2,3-6)4-7/h4H,3,6H2,1-2H3.
What are the key properties of 3-amino-2,2-dimethylpropanal?
3-amino-2,2-dimethylpropanal has a molecular weight of 101.15 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethylpropanal is sourced from PubChem (CID 54484569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).