2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]butanal

C13H27NO — CID 62276452

IUPAC2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]butanal
SMILESCCC(C)(C=O)CN(C)C(C)CC(C)C
InChIInChI=1S/C13H27NO/c1-7-13(5,10-15)9-14(6)12(4)8-11(2)3/h10-12H,7-9H2,1-6H3
InChIKeyLZKJNNWEDBZDMX-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds7

About 2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]butanal

2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]butanal (PubChem CID 62276452) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]butanal.

Molecular Properties

Compound Name2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]butanal
PubChem CID62276452
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]butanal
SMILESCCC(C)(C=O)CN(C)C(C)CC(C)C
InChIInChI=1S/C13H27NO/c1-7-13(5,10-15)9-14(6)12(4)8-11(2)3/h10-12H,7-9H2,1-6H3
InChIKeyLZKJNNWEDBZDMX-UHFFFAOYSA-N
XLogP2.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
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-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]butanal?
The IUPAC name of 2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]butanal (CID 62276452) is 2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]butanal.
What is the SMILES notation for 2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]butanal?
The canonical SMILES for 2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]butanal is CCC(C)(C=O)CN(C)C(C)CC(C)C.
What is the InChIKey of 2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]butanal?
The InChIKey is LZKJNNWEDBZDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-7-13(5,10-15)9-14(6)12(4)8-11(2)3/h10-12H,7-9H2,1-6H3.
What are the key properties of 2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]butanal?
2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]butanal has a molecular weight of 213.36 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]butanal is sourced from PubChem (CID 62276452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).