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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Related Compounds

2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanal
CID 62277730
N,2-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 123617319
3-[bis(2-methylpropyl)amino]-2,2-dimethylpropanal
CID 62276215
(2S)-N-ethyl-N,2-dimethylbutan-1-amine
CID 89086806
2,2-dimethyl-3-[4-methylpentan-2-yl(phosphanyl)amino]propanal
CID 91186189
N',2-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine
CID 43295447
2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanoic acid
CID 62270476
2,2-dimethyl-3-(2-methylbutoxy)propanal
CID 86182507
N-tert-butyl-N',2-dimethyl-N'-(2-methylbutyl)-2-propylpropane-1,3-diamine
CID 55194829
2,2-dimethyl-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanal
CID 63866290
N-tert-butyl-N'-methyl-N'-(2-methylbutyl)-2-methylidenepropane-1,3-diamine
CID 103069309
2-methyl-4-[methyl(2-methylbutyl)amino]but-2-enoic acid
CID 77074395

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).