ethane;1-methyl-3-propan-2-yladamantane;1-propan-2-yladamantane;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-yltricyclo[3.3.1.03,7]nonane

C91H140N2O2 — CID 159021335

IUPACethane;1-methyl-3-propan-2-yladamantane;1-propan-2-yladamantane;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-yltricyclo[3.3.1.03,7]nonane
SMILESCC.CC.CC.CC.CC(C)C12CC3CC(CC(C)(C3)C1)C2.CC(C)C12CC3CC(CC(C3)C1)C2.CC(C)C12CC3CC(CC1C3)C2.CC(C)c1c[nH]c2ccccc12.CC(C)c1cc2ccccc2[nH]1.CC(C)c1cc2ccccc2o1.CC(C)c1coc2ccccc12
InChIInChI=1S/C14H24.C13H22.C12H20.2C11H13N.2C11H12O.4C2H6/c1-10(2)14-7-11-4-12(8-14)6-13(3,5-11)9-14;1-9(2)13-6-10-3-11(7-13)5-12(4-10)8-13;1-8(2)12-6-9-3-10(7-12)5-11(12)4-9;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;4*1-2/h10-12H,4-9H2,1-3H3;9-12H,3-8H2,1-2H3;8-11H,3-7H2,1-2H3;2*3-8,12H,1-2H3;2*3-8H,1-2H3;4*1-2H3
InChIKeyJTSWVEDUIMOIRF-UHFFFAOYSA-N
MW1294.13 g/mol
LogP29.38
Rot. Bonds7

About ethane;1-methyl-3-propan-2-yladamantane;1-propan-2-yladamantane;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-yltricyclo[3.3.1.03,7]nonane

ethane;1-methyl-3-propan-2-yladamantane;1-propan-2-yladamantane;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-yltricyclo[3.3.1.03,7]nonane (PubChem CID 159021335) has the molecular formula C91H140N2O2 and a molecular weight of 1294.13 g/mol. Its IUPAC name is ethane;1-methyl-3-propan-2-yladamantane;1-propan-2-yladamantane;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-yltricyclo[3.3.1.03,7]nonane.

Molecular Properties

Compound Nameethane;1-methyl-3-propan-2-yladamantane;1-propan-2-yladamantane;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-yltricyclo[3.3.1.03,7]nonane
PubChem CID159021335
Molecular FormulaC91H140N2O2
Molecular Weight1294.13 g/mol
Exact Mass1293.09
IUPAC Nameethane;1-methyl-3-propan-2-yladamantane;1-propan-2-yladamantane;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-yltricyclo[3.3.1.03,7]nonane
SMILESCC.CC.CC.CC.CC(C)C12CC3CC(CC(C)(C3)C1)C2.CC(C)C12CC3CC(CC(C3)C1)C2.CC(C)C12CC3CC(CC1C3)C2.CC(C)c1c[nH]c2ccccc12.CC(C)c1cc2ccccc2[nH]1.CC(C)c1cc2ccccc2o1.CC(C)c1coc2ccccc12
InChIInChI=1S/C14H24.C13H22.C12H20.2C11H13N.2C11H12O.4C2H6/c1-10(2)14-7-11-4-12(8-14)6-13(3,5-11)9-14;1-9(2)13-6-10-3-11(7-13)5-12(4-10)8-13;1-8(2)12-6-9-3-10(7-12)5-11(12)4-9;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;4*1-2/h10-12H,4-9H2,1-3H3;9-12H,3-8H2,1-2H3;8-11H,3-7H2,1-2H3;2*3-8,12H,1-2H3;2*3-8H,1-2H3;4*1-2H3
InChIKeyJTSWVEDUIMOIRF-UHFFFAOYSA-N
XLogP29.38
TPSA57.86 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001294.13
LogP ≤ 529.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze ethane;1-methyl-3-propan-2-yladamantane;1-propan-2-yladamantane;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-yltricyclo[3.3.1.03,7]nonane with MolForge

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Launch Full Analysis

Related Compounds

3-(1-(2-(5-fluorobenzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11164277
5-fluoro-3-(1-(2-(5-fluorobenzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11188108
3-(1-(2-(benzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-5-fluoro-1H-indole
CID 11245340
3-(1-(2-(benzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-7-ethyl-1H-indole
CID 11268718
3-(1-(2-(benzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11416598
3-(1-(2-(benzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-6-fluoro-1H-indole
CID 11428376
3-[furan-2-yl(1H-indol-3-yl)methyl]-1H-indole
CID 11370382
[5-[bis(5-methoxy-1H-indol-3-yl)methyl]-7-methyl-1-benzofuran-2-yl]-(4-methoxyphenyl)methanone
CID 72707401
[5-[bis(5-methoxy-1H-indol-3-yl)methyl]-7-tert-butyl-1-benzofuran-2-yl]-(4-methoxyphenyl)methanone
CID 72707403
[5-[bis(5-methoxy-1H-indol-3-yl)methyl]-7-propyl-1-benzofuran-2-yl]-(4-methoxyphenyl)methanone
CID 72707459
[5-[bis(5-methoxy-1H-indol-3-yl)methyl]-7-ethyl-1-benzofuran-2-yl]-(4-methoxyphenyl)methanone
CID 72707519
[5-[bis(1H-indol-3-yl)methyl]-7-propan-2-yl-1-benzofuran-2-yl]-(4-methoxyphenyl)methanone
CID 72707402

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-propan-2-yladamantane;1-propan-2-yladamantane;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-yltricyclo[3.3.1.03,7]nonane?
The IUPAC name of ethane;1-methyl-3-propan-2-yladamantane;1-propan-2-yladamantane;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-yltricyclo[3.3.1.03,7]nonane (CID 159021335) is ethane;1-methyl-3-propan-2-yladamantane;1-propan-2-yladamantane;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-yltricyclo[3.3.1.03,7]nonane.
What is the SMILES notation for ethane;1-methyl-3-propan-2-yladamantane;1-propan-2-yladamantane;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-yltricyclo[3.3.1.03,7]nonane?
The canonical SMILES for ethane;1-methyl-3-propan-2-yladamantane;1-propan-2-yladamantane;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-yltricyclo[3.3.1.03,7]nonane is CC.CC.CC.CC.CC(C)C12CC3CC(CC(C)(C3)C1)C2.CC(C)C12CC3CC(CC(C3)C1)C2.CC(C)C12CC3CC(CC1C3)C2.CC(C)c1c[nH]c2ccccc12.CC(C)c1cc2ccccc2[nH]1.CC(C)c1cc2ccccc2o1.CC(C)c1coc2ccccc12.
What is the InChIKey of ethane;1-methyl-3-propan-2-yladamantane;1-propan-2-yladamantane;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-yltricyclo[3.3.1.03,7]nonane?
The InChIKey is JTSWVEDUIMOIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24.C13H22.C12H20.2C11H13N.2C11H12O.4C2H6/c1-10(2)14-7-11-4-12(8-14)6-13(3,5-11)9-14;1-9(2)13-6-10-3-11(7-13)5-12(4-10)8-13;1-8(2)12-6-9-3-10(7-12)5-11(12)4-9;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;4*1-2/h10-12H,4-9H2,1-3H3;9-12H,3-8H2,1-2H3;8-11H,3-7H2,1-2H3;2*3-8,12H,1-2H3;2*3-8H,1-2H3;4*1-2H3.
What are the key properties of ethane;1-methyl-3-propan-2-yladamantane;1-propan-2-yladamantane;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-yltricyclo[3.3.1.03,7]nonane?
ethane;1-methyl-3-propan-2-yladamantane;1-propan-2-yladamantane;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-yltricyclo[3.3.1.03,7]nonane has a molecular weight of 1294.13 g/mol, XLogP of 29.38, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-propan-2-yladamantane;1-propan-2-yladamantane;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-yltricyclo[3.3.1.03,7]nonane is sourced from PubChem (CID 159021335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).