2-(3,3-dimethylbutylamino)acetaldehyde

C8H17NO — CID 115223158

IUPAC2-(3,3-dimethylbutylamino)acetaldehyde
SMILESCC(C)(C)CCNCC=O
InChIInChI=1S/C8H17NO/c1-8(2,3)4-5-9-6-7-10/h7,9H,4-6H2,1-3H3
InChIKeyDYXUTXYLPTYVLH-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.21
Rot. Bonds4

About 2-(3,3-dimethylbutylamino)acetaldehyde

2-(3,3-dimethylbutylamino)acetaldehyde (PubChem CID 115223158) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-(3,3-dimethylbutylamino)acetaldehyde.

Molecular Properties

Compound Name2-(3,3-dimethylbutylamino)acetaldehyde
PubChem CID115223158
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-(3,3-dimethylbutylamino)acetaldehyde
SMILESCC(C)(C)CCNCC=O
InChIInChI=1S/C8H17NO/c1-8(2,3)4-5-9-6-7-10/h7,9H,4-6H2,1-3H3
InChIKeyDYXUTXYLPTYVLH-UHFFFAOYSA-N
XLogP1.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.21
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-(3,3-dimethylbutylamino)acetaldehyde?
The IUPAC name of 2-(3,3-dimethylbutylamino)acetaldehyde (CID 115223158) is 2-(3,3-dimethylbutylamino)acetaldehyde.
What is the SMILES notation for 2-(3,3-dimethylbutylamino)acetaldehyde?
The canonical SMILES for 2-(3,3-dimethylbutylamino)acetaldehyde is CC(C)(C)CCNCC=O.
What is the InChIKey of 2-(3,3-dimethylbutylamino)acetaldehyde?
The InChIKey is DYXUTXYLPTYVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-8(2,3)4-5-9-6-7-10/h7,9H,4-6H2,1-3H3.
What are the key properties of 2-(3,3-dimethylbutylamino)acetaldehyde?
2-(3,3-dimethylbutylamino)acetaldehyde has a molecular weight of 143.23 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutylamino)acetaldehyde is sourced from PubChem (CID 115223158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).