2-methyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]butanal

C15H31NO — CID 79491619

IUPAC2-methyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]butanal
SMILESCCC(CC)N(CC(C)C)CC(C)(C=O)CC
InChIInChI=1S/C15H31NO/c1-7-14(8-2)16(10-13(4)5)11-15(6,9-3)12-17/h12-14H,7-11H2,1-6H3
InChIKeyBXMAGFNZRKCXPT-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.75
Rot. Bonds9

About 2-methyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]butanal

2-methyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]butanal (PubChem CID 79491619) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-methyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]butanal.

Molecular Properties

Compound Name2-methyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]butanal
PubChem CID79491619
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2-methyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]butanal
SMILESCCC(CC)N(CC(C)C)CC(C)(C=O)CC
InChIInChI=1S/C15H31NO/c1-7-14(8-2)16(10-13(4)5)11-15(6,9-3)12-17/h12-14H,7-11H2,1-6H3
InChIKeyBXMAGFNZRKCXPT-UHFFFAOYSA-N
XLogP3.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.75
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-[[2-methylpropyl(pentan-3-yl)amino]methyl]butanal?
The IUPAC name of 2-methyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]butanal (CID 79491619) is 2-methyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]butanal.
What is the SMILES notation for 2-methyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]butanal?
The canonical SMILES for 2-methyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]butanal is CCC(CC)N(CC(C)C)CC(C)(C=O)CC.
What is the InChIKey of 2-methyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]butanal?
The InChIKey is BXMAGFNZRKCXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-7-14(8-2)16(10-13(4)5)11-15(6,9-3)12-17/h12-14H,7-11H2,1-6H3.
What are the key properties of 2-methyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]butanal?
2-methyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]butanal has a molecular weight of 241.42 g/mol, XLogP of 3.75, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]butanal is sourced from PubChem (CID 79491619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).