azane;2,2-dimethylpropanal

C5H13NO — CID 129115843

IUPACazane;2,2-dimethylpropanal
SMILESCC(C)(C)C=O.N
InChIInChI=1S/C5H10O.H3N/c1-5(2,3)4-6;/h4H,1-3H3;1H3
InChIKeyDDGPVRWXAUFCJD-UHFFFAOYSA-N
MW103.16 g/mol
LogP1.39
Rot. Bonds

About azane;2,2-dimethylpropanal

azane;2,2-dimethylpropanal (PubChem CID 129115843) has the molecular formula C5H13NO and a molecular weight of 103.16 g/mol. Its IUPAC name is azane;2,2-dimethylpropanal.

Molecular Properties

Compound Nameazane;2,2-dimethylpropanal
PubChem CID129115843
Molecular FormulaC5H13NO
Molecular Weight103.16 g/mol
Exact Mass103.10
IUPAC Nameazane;2,2-dimethylpropanal
SMILESCC(C)(C)C=O.N
InChIInChI=1S/C5H10O.H3N/c1-5(2,3)4-6;/h4H,1-3H3;1H3
InChIKeyDDGPVRWXAUFCJD-UHFFFAOYSA-N
XLogP1.39
TPSA52.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.16
LogP ≤ 51.39
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 azane;2,2-dimethylpropanal?
The IUPAC name of azane;2,2-dimethylpropanal (CID 129115843) is azane;2,2-dimethylpropanal.
What is the SMILES notation for azane;2,2-dimethylpropanal?
The canonical SMILES for azane;2,2-dimethylpropanal is CC(C)(C)C=O.N.
What is the InChIKey of azane;2,2-dimethylpropanal?
The InChIKey is DDGPVRWXAUFCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.H3N/c1-5(2,3)4-6;/h4H,1-3H3;1H3.
What are the key properties of azane;2,2-dimethylpropanal?
azane;2,2-dimethylpropanal has a molecular weight of 103.16 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,2-dimethylpropanal is sourced from PubChem (CID 129115843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).