2-[[ethyl(propan-2-yl)amino]methyl]-2-methylpentanal

C12H25NO — CID 62278096

IUPAC2-[[ethyl(propan-2-yl)amino]methyl]-2-methylpentanal
SMILESCCCC(C)(C=O)CN(CC)C(C)C
InChIInChI=1S/C12H25NO/c1-6-8-12(5,10-14)9-13(7-2)11(3)4/h10-11H,6-9H2,1-5H3
InChIKeyZVJNHKQFXCWNJS-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.72
Rot. Bonds7

About 2-[[ethyl(propan-2-yl)amino]methyl]-2-methylpentanal

2-[[ethyl(propan-2-yl)amino]methyl]-2-methylpentanal (PubChem CID 62278096) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-[[ethyl(propan-2-yl)amino]methyl]-2-methylpentanal.

Molecular Properties

Compound Name2-[[ethyl(propan-2-yl)amino]methyl]-2-methylpentanal
PubChem CID62278096
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-[[ethyl(propan-2-yl)amino]methyl]-2-methylpentanal
SMILESCCCC(C)(C=O)CN(CC)C(C)C
InChIInChI=1S/C12H25NO/c1-6-8-12(5,10-14)9-13(7-2)11(3)4/h10-11H,6-9H2,1-5H3
InChIKeyZVJNHKQFXCWNJS-UHFFFAOYSA-N
XLogP2.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.72
H-Bond Donors ≤ 50
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 2-[[ethyl(propan-2-yl)amino]methyl]-2-methylpentanal?
The IUPAC name of 2-[[ethyl(propan-2-yl)amino]methyl]-2-methylpentanal (CID 62278096) is 2-[[ethyl(propan-2-yl)amino]methyl]-2-methylpentanal.
What is the SMILES notation for 2-[[ethyl(propan-2-yl)amino]methyl]-2-methylpentanal?
The canonical SMILES for 2-[[ethyl(propan-2-yl)amino]methyl]-2-methylpentanal is CCCC(C)(C=O)CN(CC)C(C)C.
What is the InChIKey of 2-[[ethyl(propan-2-yl)amino]methyl]-2-methylpentanal?
The InChIKey is ZVJNHKQFXCWNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-6-8-12(5,10-14)9-13(7-2)11(3)4/h10-11H,6-9H2,1-5H3.
What are the key properties of 2-[[ethyl(propan-2-yl)amino]methyl]-2-methylpentanal?
2-[[ethyl(propan-2-yl)amino]methyl]-2-methylpentanal has a molecular weight of 199.34 g/mol, XLogP of 2.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(propan-2-yl)amino]methyl]-2-methylpentanal is sourced from PubChem (CID 62278096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).