2-(2,3,3a,4-tetrahydro-1H-inden-1-ylamino)-2-methylpropanal

C13H19NO — CID 141061360

IUPAC2-(2,3,3a,4-tetrahydro-1H-inden-1-ylamino)-2-methylpropanal
SMILESCC(C)(C=O)NC1CCC2CC=CC=C21
InChIInChI=1S/C13H19NO/c1-13(2,9-15)14-12-8-7-10-5-3-4-6-11(10)12/h3-4,6,9-10,12,14H,5,7-8H2,1-2H3
InChIKeyMUZWJJJTIVIYGJ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.22
Rot. Bonds3

About 2-(2,3,3a,4-tetrahydro-1H-inden-1-ylamino)-2-methylpropanal

2-(2,3,3a,4-tetrahydro-1H-inden-1-ylamino)-2-methylpropanal (PubChem CID 141061360) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(2,3,3a,4-tetrahydro-1H-inden-1-ylamino)-2-methylpropanal.

Molecular Properties

Compound Name2-(2,3,3a,4-tetrahydro-1H-inden-1-ylamino)-2-methylpropanal
PubChem CID141061360
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-(2,3,3a,4-tetrahydro-1H-inden-1-ylamino)-2-methylpropanal
SMILESCC(C)(C=O)NC1CCC2CC=CC=C21
InChIInChI=1S/C13H19NO/c1-13(2,9-15)14-12-8-7-10-5-3-4-6-11(10)12/h3-4,6,9-10,12,14H,5,7-8H2,1-2H3
InChIKeyMUZWJJJTIVIYGJ-UHFFFAOYSA-N
XLogP2.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.22
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-(2,3,3a,4-tetrahydro-1H-inden-1-ylamino)-2-methylpropanal?
The IUPAC name of 2-(2,3,3a,4-tetrahydro-1H-inden-1-ylamino)-2-methylpropanal (CID 141061360) is 2-(2,3,3a,4-tetrahydro-1H-inden-1-ylamino)-2-methylpropanal.
What is the SMILES notation for 2-(2,3,3a,4-tetrahydro-1H-inden-1-ylamino)-2-methylpropanal?
The canonical SMILES for 2-(2,3,3a,4-tetrahydro-1H-inden-1-ylamino)-2-methylpropanal is CC(C)(C=O)NC1CCC2CC=CC=C21.
What is the InChIKey of 2-(2,3,3a,4-tetrahydro-1H-inden-1-ylamino)-2-methylpropanal?
The InChIKey is MUZWJJJTIVIYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(2,9-15)14-12-8-7-10-5-3-4-6-11(10)12/h3-4,6,9-10,12,14H,5,7-8H2,1-2H3.
What are the key properties of 2-(2,3,3a,4-tetrahydro-1H-inden-1-ylamino)-2-methylpropanal?
2-(2,3,3a,4-tetrahydro-1H-inden-1-ylamino)-2-methylpropanal has a molecular weight of 205.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3a,4-tetrahydro-1H-inden-1-ylamino)-2-methylpropanal is sourced from PubChem (CID 141061360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).