2-amino-2-(3,3-dimethylbutoxy)propanal

C9H19NO2 — CID 174246951

IUPAC2-amino-2-(3,3-dimethylbutoxy)propanal
SMILESCC(C)(C)CCOC(C)(N)C=O
InChIInChI=1S/C9H19NO2/c1-8(2,3)5-6-12-9(4,10)7-11/h7H,5-6,10H2,1-4H3
InChIKeyNSXQFTMFWGSWQW-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.31
Rot. Bonds4

About 2-amino-2-(3,3-dimethylbutoxy)propanal

2-amino-2-(3,3-dimethylbutoxy)propanal (PubChem CID 174246951) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-amino-2-(3,3-dimethylbutoxy)propanal.

Molecular Properties

Compound Name2-amino-2-(3,3-dimethylbutoxy)propanal
PubChem CID174246951
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-amino-2-(3,3-dimethylbutoxy)propanal
SMILESCC(C)(C)CCOC(C)(N)C=O
InChIInChI=1S/C9H19NO2/c1-8(2,3)5-6-12-9(4,10)7-11/h7H,5-6,10H2,1-4H3
InChIKeyNSXQFTMFWGSWQW-UHFFFAOYSA-N
XLogP1.31
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3,3-dimethylbutoxy)propanal?
The IUPAC name of 2-amino-2-(3,3-dimethylbutoxy)propanal (CID 174246951) is 2-amino-2-(3,3-dimethylbutoxy)propanal.
What is the SMILES notation for 2-amino-2-(3,3-dimethylbutoxy)propanal?
The canonical SMILES for 2-amino-2-(3,3-dimethylbutoxy)propanal is CC(C)(C)CCOC(C)(N)C=O.
What is the InChIKey of 2-amino-2-(3,3-dimethylbutoxy)propanal?
The InChIKey is NSXQFTMFWGSWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8(2,3)5-6-12-9(4,10)7-11/h7H,5-6,10H2,1-4H3.
What are the key properties of 2-amino-2-(3,3-dimethylbutoxy)propanal?
2-amino-2-(3,3-dimethylbutoxy)propanal has a molecular weight of 173.26 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3,3-dimethylbutoxy)propanal is sourced from PubChem (CID 174246951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).