2-[[butan-2-yl(ethyl)amino]methyl]-2-ethylbutanal

C13H27NO — CID 62276772

IUPAC2-[[butan-2-yl(ethyl)amino]methyl]-2-ethylbutanal
SMILESCCC(C)N(CC)CC(C=O)(CC)CC
InChIInChI=1S/C13H27NO/c1-6-12(5)14(9-4)10-13(7-2,8-3)11-15/h11-12H,6-10H2,1-5H3
InChIKeyDVZWZSFYCLIAAW-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.11
Rot. Bonds8

About 2-[[butan-2-yl(ethyl)amino]methyl]-2-ethylbutanal

2-[[butan-2-yl(ethyl)amino]methyl]-2-ethylbutanal (PubChem CID 62276772) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-[[butan-2-yl(ethyl)amino]methyl]-2-ethylbutanal.

Molecular Properties

Compound Name2-[[butan-2-yl(ethyl)amino]methyl]-2-ethylbutanal
PubChem CID62276772
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-[[butan-2-yl(ethyl)amino]methyl]-2-ethylbutanal
SMILESCCC(C)N(CC)CC(C=O)(CC)CC
InChIInChI=1S/C13H27NO/c1-6-12(5)14(9-4)10-13(7-2,8-3)11-15/h11-12H,6-10H2,1-5H3
InChIKeyDVZWZSFYCLIAAW-UHFFFAOYSA-N
XLogP3.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[butan-2-yl(ethyl)amino]methyl]-2-ethylbutanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[butan-2-yl(ethyl)amino]methyl]-2-ethylbutanal?
The IUPAC name of 2-[[butan-2-yl(ethyl)amino]methyl]-2-ethylbutanal (CID 62276772) is 2-[[butan-2-yl(ethyl)amino]methyl]-2-ethylbutanal.
What is the SMILES notation for 2-[[butan-2-yl(ethyl)amino]methyl]-2-ethylbutanal?
The canonical SMILES for 2-[[butan-2-yl(ethyl)amino]methyl]-2-ethylbutanal is CCC(C)N(CC)CC(C=O)(CC)CC.
What is the InChIKey of 2-[[butan-2-yl(ethyl)amino]methyl]-2-ethylbutanal?
The InChIKey is DVZWZSFYCLIAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-6-12(5)14(9-4)10-13(7-2,8-3)11-15/h11-12H,6-10H2,1-5H3.
What are the key properties of 2-[[butan-2-yl(ethyl)amino]methyl]-2-ethylbutanal?
2-[[butan-2-yl(ethyl)amino]methyl]-2-ethylbutanal has a molecular weight of 213.36 g/mol, XLogP of 3.11, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butan-2-yl(ethyl)amino]methyl]-2-ethylbutanal is sourced from PubChem (CID 62276772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).