3-(3,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-N,N-diethyl-1,2-oxazol-4-amine

C18H24N2O — CID 139770808

IUPAC3-(3,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-N,N-diethyl-1,2-oxazol-4-amine
SMILESCCN(CC)c1conc1C1CC(C)c2ccc(C)cc21
InChIInChI=1S/C18H24N2O/c1-5-20(6-2)17-11-21-19-18(17)16-10-13(4)14-8-7-12(3)9-15(14)16/h7-9,11,13,16H,5-6,10H2,1-4H3
InChIKeyBMCVDYGSJANAIO-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.47
Rot. Bonds4

About 3-(3,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-N,N-diethyl-1,2-oxazol-4-amine

3-(3,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-N,N-diethyl-1,2-oxazol-4-amine (PubChem CID 139770808) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-(3,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-N,N-diethyl-1,2-oxazol-4-amine.

Molecular Properties

Compound Name3-(3,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-N,N-diethyl-1,2-oxazol-4-amine
PubChem CID139770808
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name3-(3,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-N,N-diethyl-1,2-oxazol-4-amine
SMILESCCN(CC)c1conc1C1CC(C)c2ccc(C)cc21
InChIInChI=1S/C18H24N2O/c1-5-20(6-2)17-11-21-19-18(17)16-10-13(4)14-8-7-12(3)9-15(14)16/h7-9,11,13,16H,5-6,10H2,1-4H3
InChIKeyBMCVDYGSJANAIO-UHFFFAOYSA-N
XLogP4.47
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(3,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-N,N-diethyl-1,2-oxazol-4-amine with MolForge

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Related Compounds

3-(4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N,N-diethyl-1,2-oxazol-4-amine
CID 139770454
3-(4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-oxazol-4-amine
CID 139770472
3-(1,3-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N,N-diethyl-1,2-oxazol-4-amine
CID 139770773
N,N-diethyl-3-(3-methylphenyl)-1,2-oxazol-4-amine
CID 19082398
propane;1,2,4,7-tetramethyl-1,2,3,4-tetrahydronaphthalene
CID 143829335
(2R,4R)-2,4,6-trimethyl-3,4-dihydro-2H-chromene
CID 126699254
3,5-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 23008934
5-(3,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-2,4,6-trimethylbenzene-1,3-dithiol
CID 139313158
3-(1,6-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazol-4-amine
CID 139770536
1-ethyl-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 64689567
2-[2-(N-ethyl-2,4-dimethylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 55864831
2,6,9,10-tetramethyl-9,10-dihydroanthracene
CID 140827349

Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-N,N-diethyl-1,2-oxazol-4-amine?
The IUPAC name of 3-(3,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-N,N-diethyl-1,2-oxazol-4-amine (CID 139770808) is 3-(3,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-N,N-diethyl-1,2-oxazol-4-amine.
What is the SMILES notation for 3-(3,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-N,N-diethyl-1,2-oxazol-4-amine?
The canonical SMILES for 3-(3,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-N,N-diethyl-1,2-oxazol-4-amine is CCN(CC)c1conc1C1CC(C)c2ccc(C)cc21.
What is the InChIKey of 3-(3,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-N,N-diethyl-1,2-oxazol-4-amine?
The InChIKey is BMCVDYGSJANAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-5-20(6-2)17-11-21-19-18(17)16-10-13(4)14-8-7-12(3)9-15(14)16/h7-9,11,13,16H,5-6,10H2,1-4H3.
What are the key properties of 3-(3,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-N,N-diethyl-1,2-oxazol-4-amine?
3-(3,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-N,N-diethyl-1,2-oxazol-4-amine has a molecular weight of 284.40 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-N,N-diethyl-1,2-oxazol-4-amine is sourced from PubChem (CID 139770808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).