2,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-dihydroinden-1-amine

C16H20N2O — CID 82821354

IUPAC2,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-dihydroinden-1-amine
SMILESCc1cc(CNC2c3ccccc3CC2(C)C)no1
InChIInChI=1S/C16H20N2O/c1-11-8-13(18-19-11)10-17-15-14-7-5-4-6-12(14)9-16(15,2)3/h4-8,15,17H,9-10H2,1-3H3
InChIKeyLBPFIPDVPZPJCM-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.40
Rot. Bonds3

About 2,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-dihydroinden-1-amine

2,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-dihydroinden-1-amine (PubChem CID 82821354) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-dihydroinden-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-dihydroinden-1-amine
PubChem CID82821354
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-dihydroinden-1-amine
SMILESCc1cc(CNC2c3ccccc3CC2(C)C)no1
InChIInChI=1S/C16H20N2O/c1-11-8-13(18-19-11)10-17-15-14-7-5-4-6-12(14)9-16(15,2)3/h4-8,15,17H,9-10H2,1-3H3
InChIKeyLBPFIPDVPZPJCM-UHFFFAOYSA-N
XLogP3.40
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-dihydroinden-1-amine?
The IUPAC name of 2,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-dihydroinden-1-amine (CID 82821354) is 2,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-dihydroinden-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-dihydroinden-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-dihydroinden-1-amine is Cc1cc(CNC2c3ccccc3CC2(C)C)no1.
What is the InChIKey of 2,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-dihydroinden-1-amine?
The InChIKey is LBPFIPDVPZPJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-8-13(18-19-11)10-17-15-14-7-5-4-6-12(14)9-16(15,2)3/h4-8,15,17H,9-10H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-dihydroinden-1-amine?
2,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-dihydroinden-1-amine has a molecular weight of 256.35 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-dihydroinden-1-amine is sourced from PubChem (CID 82821354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).