2,4-dimethyl-1-propan-2-ylbenzene;2,8-dimethyl-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;methane;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;8-(5-methylthiophen-2-yl)-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;1-propan-2-ylpiperidine

C79H114N4O5S — CID 158235544

IUPAC2,4-dimethyl-1-propan-2-ylbenzene;2,8-dimethyl-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;methane;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;8-(5-methylthiophen-2-yl)-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;1-propan-2-ylpiperidine
SMILESC.C.CC(C)C(=O)N1CCOCC1.CC(C)N1CCCCC1.Cc1cc(C(C)C)ccc1OC(C)C.Cc1ccc(-c2ccc3c(c2)Oc2ncccc2C3C(C)C)s1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc2c(c1)Oc1nc(C)ccc1C2C(C)C
InChIInChI=1S/C20H19NOS.C17H19NO.C13H20O.C11H16.C8H15NO2.C8H17N.2CH4/c1-12(2)19-15-8-7-14(18-9-6-13(3)23-18)11-17(15)22-20-16(19)5-4-10-21-20;1-10(2)16-13-7-5-11(3)9-15(13)19-17-14(16)8-6-12(4)18-17;1-9(2)12-6-7-13(11(5)8-12)14-10(3)4;1-8(2)11-6-5-9(3)7-10(11)4;1-7(2)8(10)9-3-5-11-6-4-9;1-8(2)9-6-4-3-5-7-9;;/h4-12,19H,1-3H3;5-10,16H,1-4H3;6-10H,1-5H3;5-8H,1-4H3;7H,3-6H2,1-2H3;8H,3-7H2,1-2H3;2*1H4
InChIKeyGEXJXJAKXAYRHI-UHFFFAOYSA-N
MW1231.87 g/mol
LogP21.59
Rot. Bonds9

About 2,4-dimethyl-1-propan-2-ylbenzene;2,8-dimethyl-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;methane;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;8-(5-methylthiophen-2-yl)-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;1-propan-2-ylpiperidine

2,4-dimethyl-1-propan-2-ylbenzene;2,8-dimethyl-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;methane;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;8-(5-methylthiophen-2-yl)-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;1-propan-2-ylpiperidine (PubChem CID 158235544) has the molecular formula C79H114N4O5S and a molecular weight of 1231.87 g/mol. Its IUPAC name is 2,4-dimethyl-1-propan-2-ylbenzene;2,8-dimethyl-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;methane;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;8-(5-methylthiophen-2-yl)-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;1-propan-2-ylpiperidine.

Molecular Properties

Compound Name2,4-dimethyl-1-propan-2-ylbenzene;2,8-dimethyl-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;methane;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;8-(5-methylthiophen-2-yl)-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;1-propan-2-ylpiperidine
PubChem CID158235544
Molecular FormulaC79H114N4O5S
Molecular Weight1231.87 g/mol
Exact Mass1230.85
IUPAC Name2,4-dimethyl-1-propan-2-ylbenzene;2,8-dimethyl-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;methane;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;8-(5-methylthiophen-2-yl)-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;1-propan-2-ylpiperidine
SMILESC.C.CC(C)C(=O)N1CCOCC1.CC(C)N1CCCCC1.Cc1cc(C(C)C)ccc1OC(C)C.Cc1ccc(-c2ccc3c(c2)Oc2ncccc2C3C(C)C)s1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc2c(c1)Oc1nc(C)ccc1C2C(C)C
InChIInChI=1S/C20H19NOS.C17H19NO.C13H20O.C11H16.C8H15NO2.C8H17N.2CH4/c1-12(2)19-15-8-7-14(18-9-6-13(3)23-18)11-17(15)22-20-16(19)5-4-10-21-20;1-10(2)16-13-7-5-11(3)9-15(13)19-17-14(16)8-6-12(4)18-17;1-9(2)12-6-7-13(11(5)8-12)14-10(3)4;1-8(2)11-6-5-9(3)7-10(11)4;1-7(2)8(10)9-3-5-11-6-4-9;1-8(2)9-6-4-3-5-7-9;;/h4-12,19H,1-3H3;5-10,16H,1-4H3;6-10H,1-5H3;5-8H,1-4H3;7H,3-6H2,1-2H3;8H,3-7H2,1-2H3;2*1H4
InChIKeyGEXJXJAKXAYRHI-UHFFFAOYSA-N
XLogP21.59
TPSA86.25 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001231.87
LogP ≤ 521.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2,4-dimethyl-1-propan-2-ylbenzene;2,8-dimethyl-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;methane;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;8-(5-methylthiophen-2-yl)-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;1-propan-2-ylpiperidine with MolForge

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Related Compounds

2-O-tert-butyl 1-O-methyl (1R)-6-[[3-(1,1-difluoroethyl)-2-fluorophenyl]methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate;2-O-tert-butyl 1-O-methyl (1R)-6-[(2-methyl-3-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate;2-O-tert-butyl 1-O-methyl (1R)-6-[[4-methyl-3-(trifluoromethyl)phenyl]methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate;2-O-tert-butyl 1-O-methyl (1R)-6-(thiophen-3-ylmethoxy)-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate;N-[3-[[(1R)-1-methoxycarbonyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-6-yl]oxymethyl]phenyl]methanimine oxide
CID 161626508
1-[3-[7-(2,4-difluoro-6-propan-2-yloxyphenyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)thieno[3,2-c]pyridin-6-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]prop-2-en-1-one
CID 169133916
1-[7-[7-(2,4-difluoro-6-propan-2-yloxyphenyl)-4-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)thieno[3,2-c]pyridin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one
CID 169134513
1-[(7R)-3-[7-(2,4-difluoro-6-propan-2-yloxyphenyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)thieno[3,2-c]pyridin-6-yl]-7-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl]prop-2-en-1-one
CID 169136164
1-[3-[7-(2,4-difluoro-6-propan-2-yloxyphenyl)-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)thieno[3,2-c]pyridin-6-yl]-7-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl]prop-2-en-1-one
CID 169136284
4-(7-Thiophen-2-yl-isoquinolin-6-yloxy)-piperidine-1-carboxylic acid tert-butyl ester
CID 57646852
1-O-methyl 2-O-(2-methylpropyl) 6-[(5-pyridin-2-ylthiophen-2-yl)methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate
CID 68503671
1-[(4R)-4-[2-[6-[2-[[3-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-[(4R)-2-methyl-6-prop-2-enoyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl]phenyl]methyl-methylamino]ethoxy]-3-pyridinyl]phenyl]-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-one
CID 156810430
2,3-Dimethyl-4-propan-2-ylquinoline;1,3-dimethyl-4-propan-2-ylquinolin-2-one;2-ethyl-3-methyl-4-propan-2-ylquinoline;3-methoxy-2-methyl-4-propan-2-ylquinoline;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-methyl-3-propan-2-yl-1-benzothiophene;3-methyl-4-propan-2-ylisoquinoline;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;9-propan-2-ylacridine;9-propan-2-ylanthracene;9-propan-2-yl-1,2,3,4-tetrahydroacridine
CID 157131837
2,4-dimethylpyridine;methane;N-methylmethanamine;2-methyl-1-morpholin-4-ylpropan-1-one;N-methylpropan-2-amine;2-methyl-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;4-methylpyridine;1,2,4-trimethylbenzene
CID 160669044
1-[3-(6-Methoxy-5-methylisoquinolin-3-yl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 110221291

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-propan-2-ylbenzene;2,8-dimethyl-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;methane;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;8-(5-methylthiophen-2-yl)-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;1-propan-2-ylpiperidine?
The IUPAC name of 2,4-dimethyl-1-propan-2-ylbenzene;2,8-dimethyl-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;methane;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;8-(5-methylthiophen-2-yl)-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;1-propan-2-ylpiperidine (CID 158235544) is 2,4-dimethyl-1-propan-2-ylbenzene;2,8-dimethyl-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;methane;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;8-(5-methylthiophen-2-yl)-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;1-propan-2-ylpiperidine.
What is the SMILES notation for 2,4-dimethyl-1-propan-2-ylbenzene;2,8-dimethyl-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;methane;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;8-(5-methylthiophen-2-yl)-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;1-propan-2-ylpiperidine?
The canonical SMILES for 2,4-dimethyl-1-propan-2-ylbenzene;2,8-dimethyl-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;methane;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;8-(5-methylthiophen-2-yl)-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;1-propan-2-ylpiperidine is C.C.CC(C)C(=O)N1CCOCC1.CC(C)N1CCCCC1.Cc1cc(C(C)C)ccc1OC(C)C.Cc1ccc(-c2ccc3c(c2)Oc2ncccc2C3C(C)C)s1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc2c(c1)Oc1nc(C)ccc1C2C(C)C.
What is the InChIKey of 2,4-dimethyl-1-propan-2-ylbenzene;2,8-dimethyl-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;methane;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;8-(5-methylthiophen-2-yl)-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;1-propan-2-ylpiperidine?
The InChIKey is GEXJXJAKXAYRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NOS.C17H19NO.C13H20O.C11H16.C8H15NO2.C8H17N.2CH4/c1-12(2)19-15-8-7-14(18-9-6-13(3)23-18)11-17(15)22-20-16(19)5-4-10-21-20;1-10(2)16-13-7-5-11(3)9-15(13)19-17-14(16)8-6-12(4)18-17;1-9(2)12-6-7-13(11(5)8-12)14-10(3)4;1-8(2)11-6-5-9(3)7-10(11)4;1-7(2)8(10)9-3-5-11-6-4-9;1-8(2)9-6-4-3-5-7-9;;/h4-12,19H,1-3H3;5-10,16H,1-4H3;6-10H,1-5H3;5-8H,1-4H3;7H,3-6H2,1-2H3;8H,3-7H2,1-2H3;2*1H4.
What are the key properties of 2,4-dimethyl-1-propan-2-ylbenzene;2,8-dimethyl-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;methane;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;8-(5-methylthiophen-2-yl)-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;1-propan-2-ylpiperidine?
2,4-dimethyl-1-propan-2-ylbenzene;2,8-dimethyl-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;methane;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;8-(5-methylthiophen-2-yl)-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;1-propan-2-ylpiperidine has a molecular weight of 1231.87 g/mol, XLogP of 21.59, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-propan-2-ylbenzene;2,8-dimethyl-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;methane;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-4-propan-2-yl-1-propan-2-yloxybenzene;8-(5-methylthiophen-2-yl)-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;1-propan-2-ylpiperidine is sourced from PubChem (CID 158235544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).