(2-tert-butylcyclopropyl)benzene;2-tert-butyl-5-methoxy-4-propan-2-ylpyridine;6-tert-butyl-3-methoxy-4-propan-2-ylpyridine-2-carbonitrile;2-tert-butyl-5-methylsulfinyl-4-propan-2-ylpyridine;5-tert-butyl-3-propan-2-yl-1H-pyridin-2-one;1-(3-fluoro-5-propan-2-ylphenyl)pyrrolidine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine

C102H153FN10O5S — CID 159115951

IUPAC(2-tert-butylcyclopropyl)benzene;2-tert-butyl-5-methoxy-4-propan-2-ylpyridine;6-tert-butyl-3-methoxy-4-propan-2-ylpyridine-2-carbonitrile;2-tert-butyl-5-methylsulfinyl-4-propan-2-ylpyridine;5-tert-butyl-3-propan-2-yl-1H-pyridin-2-one;1-(3-fluoro-5-propan-2-ylphenyl)pyrrolidine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine
SMILESCC(C)(C)C1CC1c1ccccc1.CC(C)c1cc(C(C)(C)C)c[nH]c1=O.CC(C)c1cc(C(C)(C)C)ncc1S(C)=O.CC(C)c1cc(F)cc(N2CCCC2)c1.CC(C)c1ccnc(N2CCCC2)c1.CC(C)c1ccnc(N2CCOCC2)c1.COc1c(C(C)C)cc(C(C)(C)C)nc1C#N.COc1cnc(C(C)(C)C)cc1C(C)C
InChIInChI=1S/C14H20N2O.C13H18FN.C13H21NOS.C13H21NO.C13H18.C12H18N2O.C12H18N2.C12H19NO/c1-9(2)10-7-12(14(3,4)5)16-11(8-15)13(10)17-6;1-10(2)11-7-12(14)9-13(8-11)15-5-3-4-6-15;1-9(2)10-7-12(13(3,4)5)14-8-11(10)16(6)15;1-9(2)10-7-12(13(3,4)5)14-8-11(10)15-6;1-13(2,3)12-9-11(12)10-7-5-4-6-8-10;1-10(2)11-3-4-13-12(9-11)14-5-7-15-8-6-14;1-10(2)11-5-6-13-12(9-11)14-7-3-4-8-14;1-8(2)10-6-9(12(3,4)5)7-13-11(10)14/h7,9H,1-6H3;7-10H,3-6H2,1-2H3;7-9H,1-6H3;7-9H,1-6H3;4-8,11-12H,9H2,1-3H3;3-4,9-10H,5-8H2,1-2H3;5-6,9-10H,3-4,7-8H2,1-2H3;6-8H,1-5H3,(H,13,14)
InChIKeyKFBVHWRCSKHHTE-UHFFFAOYSA-N
MW1650.48 g/mol
LogP25.16
Rot. Bonds14

About (2-tert-butylcyclopropyl)benzene;2-tert-butyl-5-methoxy-4-propan-2-ylpyridine;6-tert-butyl-3-methoxy-4-propan-2-ylpyridine-2-carbonitrile;2-tert-butyl-5-methylsulfinyl-4-propan-2-ylpyridine;5-tert-butyl-3-propan-2-yl-1H-pyridin-2-one;1-(3-fluoro-5-propan-2-ylphenyl)pyrrolidine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine

(2-tert-butylcyclopropyl)benzene;2-tert-butyl-5-methoxy-4-propan-2-ylpyridine;6-tert-butyl-3-methoxy-4-propan-2-ylpyridine-2-carbonitrile;2-tert-butyl-5-methylsulfinyl-4-propan-2-ylpyridine;5-tert-butyl-3-propan-2-yl-1H-pyridin-2-one;1-(3-fluoro-5-propan-2-ylphenyl)pyrrolidine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine (PubChem CID 159115951) has the molecular formula C102H153FN10O5S and a molecular weight of 1650.48 g/mol. Its IUPAC name is (2-tert-butylcyclopropyl)benzene;2-tert-butyl-5-methoxy-4-propan-2-ylpyridine;6-tert-butyl-3-methoxy-4-propan-2-ylpyridine-2-carbonitrile;2-tert-butyl-5-methylsulfinyl-4-propan-2-ylpyridine;5-tert-butyl-3-propan-2-yl-1H-pyridin-2-one;1-(3-fluoro-5-propan-2-ylphenyl)pyrrolidine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine.

Molecular Properties

Compound Name(2-tert-butylcyclopropyl)benzene;2-tert-butyl-5-methoxy-4-propan-2-ylpyridine;6-tert-butyl-3-methoxy-4-propan-2-ylpyridine-2-carbonitrile;2-tert-butyl-5-methylsulfinyl-4-propan-2-ylpyridine;5-tert-butyl-3-propan-2-yl-1H-pyridin-2-one;1-(3-fluoro-5-propan-2-ylphenyl)pyrrolidine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine
PubChem CID159115951
Molecular FormulaC102H153FN10O5S
Molecular Weight1650.48 g/mol
Exact Mass1649.17
IUPAC Name(2-tert-butylcyclopropyl)benzene;2-tert-butyl-5-methoxy-4-propan-2-ylpyridine;6-tert-butyl-3-methoxy-4-propan-2-ylpyridine-2-carbonitrile;2-tert-butyl-5-methylsulfinyl-4-propan-2-ylpyridine;5-tert-butyl-3-propan-2-yl-1H-pyridin-2-one;1-(3-fluoro-5-propan-2-ylphenyl)pyrrolidine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine
SMILESCC(C)(C)C1CC1c1ccccc1.CC(C)c1cc(C(C)(C)C)c[nH]c1=O.CC(C)c1cc(C(C)(C)C)ncc1S(C)=O.CC(C)c1cc(F)cc(N2CCCC2)c1.CC(C)c1ccnc(N2CCCC2)c1.CC(C)c1ccnc(N2CCOCC2)c1.COc1c(C(C)C)cc(C(C)(C)C)nc1C#N.COc1cnc(C(C)(C)C)cc1C(C)C
InChIInChI=1S/C14H20N2O.C13H18FN.C13H21NOS.C13H21NO.C13H18.C12H18N2O.C12H18N2.C12H19NO/c1-9(2)10-7-12(14(3,4)5)16-11(8-15)13(10)17-6;1-10(2)11-7-12(14)9-13(8-11)15-5-3-4-6-15;1-9(2)10-7-12(13(3,4)5)14-8-11(10)16(6)15;1-9(2)10-7-12(13(3,4)5)14-8-11(10)15-6;1-13(2,3)12-9-11(12)10-7-5-4-6-8-10;1-10(2)11-3-4-13-12(9-11)14-5-7-15-8-6-14;1-10(2)11-5-6-13-12(9-11)14-7-3-4-8-14;1-8(2)10-6-9(12(3,4)5)7-13-11(10)14/h7,9H,1-6H3;7-10H,3-6H2,1-2H3;7-9H,1-6H3;7-9H,1-6H3;4-8,11-12H,9H2,1-3H3;3-4,9-10H,5-8H2,1-2H3;5-6,9-10H,3-4,7-8H2,1-2H3;6-8H,1-5H3,(H,13,14)
InChIKeyKFBVHWRCSKHHTE-UHFFFAOYSA-N
XLogP25.16
TPSA175.58 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001650.48
LogP ≤ 525.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze (2-tert-butylcyclopropyl)benzene;2-tert-butyl-5-methoxy-4-propan-2-ylpyridine;6-tert-butyl-3-methoxy-4-propan-2-ylpyridine-2-carbonitrile;2-tert-butyl-5-methylsulfinyl-4-propan-2-ylpyridine;5-tert-butyl-3-propan-2-yl-1H-pyridin-2-one;1-(3-fluoro-5-propan-2-ylphenyl)pyrrolidine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butylcyclopropyl)benzene;2-tert-butyl-5-methoxy-4-propan-2-ylpyridine;6-tert-butyl-3-methoxy-4-propan-2-ylpyridine-2-carbonitrile;2-tert-butyl-5-methylsulfinyl-4-propan-2-ylpyridine;5-tert-butyl-3-propan-2-yl-1H-pyridin-2-one;1-(3-fluoro-5-propan-2-ylphenyl)pyrrolidine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine?
The IUPAC name of (2-tert-butylcyclopropyl)benzene;2-tert-butyl-5-methoxy-4-propan-2-ylpyridine;6-tert-butyl-3-methoxy-4-propan-2-ylpyridine-2-carbonitrile;2-tert-butyl-5-methylsulfinyl-4-propan-2-ylpyridine;5-tert-butyl-3-propan-2-yl-1H-pyridin-2-one;1-(3-fluoro-5-propan-2-ylphenyl)pyrrolidine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine (CID 159115951) is (2-tert-butylcyclopropyl)benzene;2-tert-butyl-5-methoxy-4-propan-2-ylpyridine;6-tert-butyl-3-methoxy-4-propan-2-ylpyridine-2-carbonitrile;2-tert-butyl-5-methylsulfinyl-4-propan-2-ylpyridine;5-tert-butyl-3-propan-2-yl-1H-pyridin-2-one;1-(3-fluoro-5-propan-2-ylphenyl)pyrrolidine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine.
What is the SMILES notation for (2-tert-butylcyclopropyl)benzene;2-tert-butyl-5-methoxy-4-propan-2-ylpyridine;6-tert-butyl-3-methoxy-4-propan-2-ylpyridine-2-carbonitrile;2-tert-butyl-5-methylsulfinyl-4-propan-2-ylpyridine;5-tert-butyl-3-propan-2-yl-1H-pyridin-2-one;1-(3-fluoro-5-propan-2-ylphenyl)pyrrolidine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine?
The canonical SMILES for (2-tert-butylcyclopropyl)benzene;2-tert-butyl-5-methoxy-4-propan-2-ylpyridine;6-tert-butyl-3-methoxy-4-propan-2-ylpyridine-2-carbonitrile;2-tert-butyl-5-methylsulfinyl-4-propan-2-ylpyridine;5-tert-butyl-3-propan-2-yl-1H-pyridin-2-one;1-(3-fluoro-5-propan-2-ylphenyl)pyrrolidine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine is CC(C)(C)C1CC1c1ccccc1.CC(C)c1cc(C(C)(C)C)c[nH]c1=O.CC(C)c1cc(C(C)(C)C)ncc1S(C)=O.CC(C)c1cc(F)cc(N2CCCC2)c1.CC(C)c1ccnc(N2CCCC2)c1.CC(C)c1ccnc(N2CCOCC2)c1.COc1c(C(C)C)cc(C(C)(C)C)nc1C#N.COc1cnc(C(C)(C)C)cc1C(C)C.
What is the InChIKey of (2-tert-butylcyclopropyl)benzene;2-tert-butyl-5-methoxy-4-propan-2-ylpyridine;6-tert-butyl-3-methoxy-4-propan-2-ylpyridine-2-carbonitrile;2-tert-butyl-5-methylsulfinyl-4-propan-2-ylpyridine;5-tert-butyl-3-propan-2-yl-1H-pyridin-2-one;1-(3-fluoro-5-propan-2-ylphenyl)pyrrolidine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine?
The InChIKey is KFBVHWRCSKHHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.C13H18FN.C13H21NOS.C13H21NO.C13H18.C12H18N2O.C12H18N2.C12H19NO/c1-9(2)10-7-12(14(3,4)5)16-11(8-15)13(10)17-6;1-10(2)11-7-12(14)9-13(8-11)15-5-3-4-6-15;1-9(2)10-7-12(13(3,4)5)14-8-11(10)16(6)15;1-9(2)10-7-12(13(3,4)5)14-8-11(10)15-6;1-13(2,3)12-9-11(12)10-7-5-4-6-8-10;1-10(2)11-3-4-13-12(9-11)14-5-7-15-8-6-14;1-10(2)11-5-6-13-12(9-11)14-7-3-4-8-14;1-8(2)10-6-9(12(3,4)5)7-13-11(10)14/h7,9H,1-6H3;7-10H,3-6H2,1-2H3;7-9H,1-6H3;7-9H,1-6H3;4-8,11-12H,9H2,1-3H3;3-4,9-10H,5-8H2,1-2H3;5-6,9-10H,3-4,7-8H2,1-2H3;6-8H,1-5H3,(H,13,14).
What are the key properties of (2-tert-butylcyclopropyl)benzene;2-tert-butyl-5-methoxy-4-propan-2-ylpyridine;6-tert-butyl-3-methoxy-4-propan-2-ylpyridine-2-carbonitrile;2-tert-butyl-5-methylsulfinyl-4-propan-2-ylpyridine;5-tert-butyl-3-propan-2-yl-1H-pyridin-2-one;1-(3-fluoro-5-propan-2-ylphenyl)pyrrolidine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine?
(2-tert-butylcyclopropyl)benzene;2-tert-butyl-5-methoxy-4-propan-2-ylpyridine;6-tert-butyl-3-methoxy-4-propan-2-ylpyridine-2-carbonitrile;2-tert-butyl-5-methylsulfinyl-4-propan-2-ylpyridine;5-tert-butyl-3-propan-2-yl-1H-pyridin-2-one;1-(3-fluoro-5-propan-2-ylphenyl)pyrrolidine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine has a molecular weight of 1650.48 g/mol, XLogP of 25.16, 14 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylcyclopropyl)benzene;2-tert-butyl-5-methoxy-4-propan-2-ylpyridine;6-tert-butyl-3-methoxy-4-propan-2-ylpyridine-2-carbonitrile;2-tert-butyl-5-methylsulfinyl-4-propan-2-ylpyridine;5-tert-butyl-3-propan-2-yl-1H-pyridin-2-one;1-(3-fluoro-5-propan-2-ylphenyl)pyrrolidine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine is sourced from PubChem (CID 159115951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).