2-methyl-2-[3-(methylamino)-1-bicyclo[1.1.1]pentanyl]propanal

C10H17NO — CID 146204224

IUPAC2-methyl-2-[3-(methylamino)-1-bicyclo[1.1.1]pentanyl]propanal
SMILESCNC12CC(C(C)(C)C=O)(C1)C2
InChIInChI=1S/C10H17NO/c1-8(2,7-12)9-4-10(5-9,6-9)11-3/h7,11H,4-6H2,1-3H3
InChIKeyQPOPKVLQQHQNMC-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.35
Rot. Bonds3

About 2-methyl-2-[3-(methylamino)-1-bicyclo[1.1.1]pentanyl]propanal

2-methyl-2-[3-(methylamino)-1-bicyclo[1.1.1]pentanyl]propanal (PubChem CID 146204224) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-methyl-2-[3-(methylamino)-1-bicyclo[1.1.1]pentanyl]propanal.

Molecular Properties

Compound Name2-methyl-2-[3-(methylamino)-1-bicyclo[1.1.1]pentanyl]propanal
PubChem CID146204224
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-methyl-2-[3-(methylamino)-1-bicyclo[1.1.1]pentanyl]propanal
SMILESCNC12CC(C(C)(C)C=O)(C1)C2
InChIInChI=1S/C10H17NO/c1-8(2,7-12)9-4-10(5-9,6-9)11-3/h7,11H,4-6H2,1-3H3
InChIKeyQPOPKVLQQHQNMC-UHFFFAOYSA-N
XLogP1.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.35
H-Bond Donors ≤ 51
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-[3-(methylamino)-1-bicyclo[1.1.1]pentanyl]propanal?
The IUPAC name of 2-methyl-2-[3-(methylamino)-1-bicyclo[1.1.1]pentanyl]propanal (CID 146204224) is 2-methyl-2-[3-(methylamino)-1-bicyclo[1.1.1]pentanyl]propanal.
What is the SMILES notation for 2-methyl-2-[3-(methylamino)-1-bicyclo[1.1.1]pentanyl]propanal?
The canonical SMILES for 2-methyl-2-[3-(methylamino)-1-bicyclo[1.1.1]pentanyl]propanal is CNC12CC(C(C)(C)C=O)(C1)C2.
What is the InChIKey of 2-methyl-2-[3-(methylamino)-1-bicyclo[1.1.1]pentanyl]propanal?
The InChIKey is QPOPKVLQQHQNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8(2,7-12)9-4-10(5-9,6-9)11-3/h7,11H,4-6H2,1-3H3.
What are the key properties of 2-methyl-2-[3-(methylamino)-1-bicyclo[1.1.1]pentanyl]propanal?
2-methyl-2-[3-(methylamino)-1-bicyclo[1.1.1]pentanyl]propanal has a molecular weight of 167.25 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-(methylamino)-1-bicyclo[1.1.1]pentanyl]propanal is sourced from PubChem (CID 146204224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).