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

C10H21NO — CID 62276386

IUPAC2,2-dimethyl-3-[methyl(2-methylpropyl)amino]propanal
SMILESCC(C)CN(C)CC(C)(C)C=O
InChIInChI=1S/C10H21NO/c1-9(2)6-11(5)7-10(3,4)8-12/h8-9H,6-7H2,1-5H3
InChIKeyLNIPCMGIVMITHB-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.80
Rot. Bonds5

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

2,2-dimethyl-3-[methyl(2-methylpropyl)amino]propanal (PubChem CID 62276386) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2,2-dimethyl-3-[methyl(2-methylpropyl)amino]propanal.

Molecular Properties

Compound Name2,2-dimethyl-3-[methyl(2-methylpropyl)amino]propanal
PubChem CID62276386
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2,2-dimethyl-3-[methyl(2-methylpropyl)amino]propanal
SMILESCC(C)CN(C)CC(C)(C)C=O
InChIInChI=1S/C10H21NO/c1-9(2)6-11(5)7-10(3,4)8-12/h8-9H,6-7H2,1-5H3
InChIKeyLNIPCMGIVMITHB-UHFFFAOYSA-N
XLogP1.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.80
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-methylpropyl)amino]propanal?
The IUPAC name of 2,2-dimethyl-3-[methyl(2-methylpropyl)amino]propanal (CID 62276386) is 2,2-dimethyl-3-[methyl(2-methylpropyl)amino]propanal.
What is the SMILES notation for 2,2-dimethyl-3-[methyl(2-methylpropyl)amino]propanal?
The canonical SMILES for 2,2-dimethyl-3-[methyl(2-methylpropyl)amino]propanal is CC(C)CN(C)CC(C)(C)C=O.
What is the InChIKey of 2,2-dimethyl-3-[methyl(2-methylpropyl)amino]propanal?
The InChIKey is LNIPCMGIVMITHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2)6-11(5)7-10(3,4)8-12/h8-9H,6-7H2,1-5H3.
What are the key properties of 2,2-dimethyl-3-[methyl(2-methylpropyl)amino]propanal?
2,2-dimethyl-3-[methyl(2-methylpropyl)amino]propanal has a molecular weight of 171.28 g/mol, XLogP of 1.80, 5 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-methylpropyl)amino]propanal is sourced from PubChem (CID 62276386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).