2,2-dimethyl-3-[methyl(2-methylbutyl)amino]propanal

C11H23NO — CID 62277918

IUPAC2,2-dimethyl-3-[methyl(2-methylbutyl)amino]propanal
SMILESCCC(C)CN(C)CC(C)(C)C=O
InChIInChI=1S/C11H23NO/c1-6-10(2)7-12(5)8-11(3,4)9-13/h9-10H,6-8H2,1-5H3
InChIKeyQKKXFGBTETTZBN-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.19
Rot. Bonds6

About 2,2-dimethyl-3-[methyl(2-methylbutyl)amino]propanal

2,2-dimethyl-3-[methyl(2-methylbutyl)amino]propanal (PubChem CID 62277918) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2,2-dimethyl-3-[methyl(2-methylbutyl)amino]propanal.

Molecular Properties

Compound Name2,2-dimethyl-3-[methyl(2-methylbutyl)amino]propanal
PubChem CID62277918
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2,2-dimethyl-3-[methyl(2-methylbutyl)amino]propanal
SMILESCCC(C)CN(C)CC(C)(C)C=O
InChIInChI=1S/C11H23NO/c1-6-10(2)7-12(5)8-11(3,4)9-13/h9-10H,6-8H2,1-5H3
InChIKeyQKKXFGBTETTZBN-UHFFFAOYSA-N
XLogP2.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.19
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 2,2-dimethyl-3-[methyl(2-methylbutyl)amino]propanal?
The IUPAC name of 2,2-dimethyl-3-[methyl(2-methylbutyl)amino]propanal (CID 62277918) is 2,2-dimethyl-3-[methyl(2-methylbutyl)amino]propanal.
What is the SMILES notation for 2,2-dimethyl-3-[methyl(2-methylbutyl)amino]propanal?
The canonical SMILES for 2,2-dimethyl-3-[methyl(2-methylbutyl)amino]propanal is CCC(C)CN(C)CC(C)(C)C=O.
What is the InChIKey of 2,2-dimethyl-3-[methyl(2-methylbutyl)amino]propanal?
The InChIKey is QKKXFGBTETTZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-6-10(2)7-12(5)8-11(3,4)9-13/h9-10H,6-8H2,1-5H3.
What are the key properties of 2,2-dimethyl-3-[methyl(2-methylbutyl)amino]propanal?
2,2-dimethyl-3-[methyl(2-methylbutyl)amino]propanal has a molecular weight of 185.31 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[methyl(2-methylbutyl)amino]propanal is sourced from PubChem (CID 62277918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).