1-tert-butyl-4-methylpiperidin-4-amine;(3R)-2,2-ditert-butyl-3H-1-benzofuran-3-amine;(1R)-2,2-ditert-butyl-5,6-difluoro-1,3-dihydroinden-1-amine;(5S)-6,6-ditert-butyl-5,7-dihydrocyclopenta[b]pyridin-5-amine;(6S)-5,5-ditert-butyl-4,6-dihydrocyclopenta[d][1,3]thiazol-6-amine;(1R)-2,2-ditert-butyl-1,3-dihydroinden-1-amine;(1R)-2,2-ditert-butyl-6-methoxy-1,3-dihydroinden-1-amine

C108H178F2N10O2S — CID 165001914

IUPAC1-tert-butyl-4-methylpiperidin-4-amine;(3R)-2,2-ditert-butyl-3H-1-benzofuran-3-amine;(1R)-2,2-ditert-butyl-5,6-difluoro-1,3-dihydroinden-1-amine;(5S)-6,6-ditert-butyl-5,7-dihydrocyclopenta[b]pyridin-5-amine;(6S)-5,5-ditert-butyl-4,6-dihydrocyclopenta[d][1,3]thiazol-6-amine;(1R)-2,2-ditert-butyl-1,3-dihydroinden-1-amine;(1R)-2,2-ditert-butyl-6-methoxy-1,3-dihydroinden-1-amine
SMILESCC(C)(C)C1(C(C)(C)C)Cc2cc(F)c(F)cc2[C@H]1N.CC(C)(C)C1(C(C)(C)C)Cc2ccccc2[C@H]1N.CC(C)(C)C1(C(C)(C)C)Cc2ncccc2[C@H]1N.CC(C)(C)C1(C(C)(C)C)Cc2ncsc2[C@H]1N.CC(C)(C)C1(C(C)(C)C)Oc2ccccc2[C@H]1N.CC1(N)CCN(C(C)(C)C)CC1.COc1ccc2c(c1)[C@@H](N)C(C(C)(C)C)(C(C)(C)C)C2
InChIInChI=1S/C18H29NO.C17H25F2N.C17H27N.C16H26N2.C16H25NO.C14H24N2S.C10H22N2/c1-16(2,3)18(17(4,5)6)11-12-8-9-13(20-7)10-14(12)15(18)19;1-15(2,3)17(16(4,5)6)9-10-7-12(18)13(19)8-11(10)14(17)20;1-15(2,3)17(16(4,5)6)11-12-9-7-8-10-13(12)14(17)18;1-14(2,3)16(15(4,5)6)10-12-11(13(16)17)8-7-9-18-12;1-14(2,3)16(15(4,5)6)13(17)11-9-7-8-10-12(11)18-16;1-12(2,3)14(13(4,5)6)7-9-10(11(14)15)17-8-16-9;1-9(2,3)12-7-5-10(4,11)6-8-12/h8-10,15H,11,19H2,1-7H3;7-8,14H,9,20H2,1-6H3;7-10,14H,11,18H2,1-6H3;7-9,13H,10,17H2,1-6H3;7-10,13H,17H2,1-6H3;8,11H,7,15H2,1-6H3;5-8,11H2,1-4H3/t15-;2*14-;2*13-;11-;/m111111./s1
InChIKeyIJNLRXLTQAHVAQ-VHCYZOGUSA-N
MW1718.74 g/mol
LogP26.25
Rot. Bonds1

About 1-tert-butyl-4-methylpiperidin-4-amine;(3R)-2,2-ditert-butyl-3H-1-benzofuran-3-amine;(1R)-2,2-ditert-butyl-5,6-difluoro-1,3-dihydroinden-1-amine;(5S)-6,6-ditert-butyl-5,7-dihydrocyclopenta[b]pyridin-5-amine;(6S)-5,5-ditert-butyl-4,6-dihydrocyclopenta[d][1,3]thiazol-6-amine;(1R)-2,2-ditert-butyl-1,3-dihydroinden-1-amine;(1R)-2,2-ditert-butyl-6-methoxy-1,3-dihydroinden-1-amine

1-tert-butyl-4-methylpiperidin-4-amine;(3R)-2,2-ditert-butyl-3H-1-benzofuran-3-amine;(1R)-2,2-ditert-butyl-5,6-difluoro-1,3-dihydroinden-1-amine;(5S)-6,6-ditert-butyl-5,7-dihydrocyclopenta[b]pyridin-5-amine;(6S)-5,5-ditert-butyl-4,6-dihydrocyclopenta[d][1,3]thiazol-6-amine;(1R)-2,2-ditert-butyl-1,3-dihydroinden-1-amine;(1R)-2,2-ditert-butyl-6-methoxy-1,3-dihydroinden-1-amine (PubChem CID 165001914) has the molecular formula C108H178F2N10O2S and a molecular weight of 1718.74 g/mol. Its IUPAC name is 1-tert-butyl-4-methylpiperidin-4-amine;(3R)-2,2-ditert-butyl-3H-1-benzofuran-3-amine;(1R)-2,2-ditert-butyl-5,6-difluoro-1,3-dihydroinden-1-amine;(5S)-6,6-ditert-butyl-5,7-dihydrocyclopenta[b]pyridin-5-amine;(6S)-5,5-ditert-butyl-4,6-dihydrocyclopenta[d][1,3]thiazol-6-amine;(1R)-2,2-ditert-butyl-1,3-dihydroinden-1-amine;(1R)-2,2-ditert-butyl-6-methoxy-1,3-dihydroinden-1-amine.

Molecular Properties

Compound Name1-tert-butyl-4-methylpiperidin-4-amine;(3R)-2,2-ditert-butyl-3H-1-benzofuran-3-amine;(1R)-2,2-ditert-butyl-5,6-difluoro-1,3-dihydroinden-1-amine;(5S)-6,6-ditert-butyl-5,7-dihydrocyclopenta[b]pyridin-5-amine;(6S)-5,5-ditert-butyl-4,6-dihydrocyclopenta[d][1,3]thiazol-6-amine;(1R)-2,2-ditert-butyl-1,3-dihydroinden-1-amine;(1R)-2,2-ditert-butyl-6-methoxy-1,3-dihydroinden-1-amine
PubChem CID165001914
Molecular FormulaC108H178F2N10O2S
Molecular Weight1718.74 g/mol
Exact Mass1717.38
IUPAC Name1-tert-butyl-4-methylpiperidin-4-amine;(3R)-2,2-ditert-butyl-3H-1-benzofuran-3-amine;(1R)-2,2-ditert-butyl-5,6-difluoro-1,3-dihydroinden-1-amine;(5S)-6,6-ditert-butyl-5,7-dihydrocyclopenta[b]pyridin-5-amine;(6S)-5,5-ditert-butyl-4,6-dihydrocyclopenta[d][1,3]thiazol-6-amine;(1R)-2,2-ditert-butyl-1,3-dihydroinden-1-amine;(1R)-2,2-ditert-butyl-6-methoxy-1,3-dihydroinden-1-amine
SMILESCC(C)(C)C1(C(C)(C)C)Cc2cc(F)c(F)cc2[C@H]1N.CC(C)(C)C1(C(C)(C)C)Cc2ccccc2[C@H]1N.CC(C)(C)C1(C(C)(C)C)Cc2ncccc2[C@H]1N.CC(C)(C)C1(C(C)(C)C)Cc2ncsc2[C@H]1N.CC(C)(C)C1(C(C)(C)C)Oc2ccccc2[C@H]1N.CC1(N)CCN(C(C)(C)C)CC1.COc1ccc2c(c1)[C@@H](N)C(C(C)(C)C)(C(C)(C)C)C2
InChIInChI=1S/C18H29NO.C17H25F2N.C17H27N.C16H26N2.C16H25NO.C14H24N2S.C10H22N2/c1-16(2,3)18(17(4,5)6)11-12-8-9-13(20-7)10-14(12)15(18)19;1-15(2,3)17(16(4,5)6)9-10-7-12(18)13(19)8-11(10)14(17)20;1-15(2,3)17(16(4,5)6)11-12-9-7-8-10-13(12)14(17)18;1-14(2,3)16(15(4,5)6)10-12-11(13(16)17)8-7-9-18-12;1-14(2,3)16(15(4,5)6)13(17)11-9-7-8-10-12(11)18-16;1-12(2,3)14(13(4,5)6)7-9-10(11(14)15)17-8-16-9;1-9(2,3)12-7-5-10(4,11)6-8-12/h8-10,15H,11,19H2,1-7H3;7-8,14H,9,20H2,1-6H3;7-10,14H,11,18H2,1-6H3;7-9,13H,10,17H2,1-6H3;7-10,13H,17H2,1-6H3;8,11H,7,15H2,1-6H3;5-8,11H2,1-4H3/t15-;2*14-;2*13-;11-;/m111111./s1
InChIKeyIJNLRXLTQAHVAQ-VHCYZOGUSA-N
XLogP26.25
TPSA229.62 Ų
H-Bond Donors7
H-Bond Acceptors13
Rotatable Bonds1
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001718.74
LogP ≤ 526.25
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1013

Analyze 1-tert-butyl-4-methylpiperidin-4-amine;(3R)-2,2-ditert-butyl-3H-1-benzofuran-3-amine;(1R)-2,2-ditert-butyl-5,6-difluoro-1,3-dihydroinden-1-amine;(5S)-6,6-ditert-butyl-5,7-dihydrocyclopenta[b]pyridin-5-amine;(6S)-5,5-ditert-butyl-4,6-dihydrocyclopenta[d][1,3]thiazol-6-amine;(1R)-2,2-ditert-butyl-1,3-dihydroinden-1-amine;(1R)-2,2-ditert-butyl-6-methoxy-1,3-dihydroinden-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methylpiperidin-4-amine;(3R)-2,2-ditert-butyl-3H-1-benzofuran-3-amine;(1R)-2,2-ditert-butyl-5,6-difluoro-1,3-dihydroinden-1-amine;(5S)-6,6-ditert-butyl-5,7-dihydrocyclopenta[b]pyridin-5-amine;(6S)-5,5-ditert-butyl-4,6-dihydrocyclopenta[d][1,3]thiazol-6-amine;(1R)-2,2-ditert-butyl-1,3-dihydroinden-1-amine;(1R)-2,2-ditert-butyl-6-methoxy-1,3-dihydroinden-1-amine?
The IUPAC name of 1-tert-butyl-4-methylpiperidin-4-amine;(3R)-2,2-ditert-butyl-3H-1-benzofuran-3-amine;(1R)-2,2-ditert-butyl-5,6-difluoro-1,3-dihydroinden-1-amine;(5S)-6,6-ditert-butyl-5,7-dihydrocyclopenta[b]pyridin-5-amine;(6S)-5,5-ditert-butyl-4,6-dihydrocyclopenta[d][1,3]thiazol-6-amine;(1R)-2,2-ditert-butyl-1,3-dihydroinden-1-amine;(1R)-2,2-ditert-butyl-6-methoxy-1,3-dihydroinden-1-amine (CID 165001914) is 1-tert-butyl-4-methylpiperidin-4-amine;(3R)-2,2-ditert-butyl-3H-1-benzofuran-3-amine;(1R)-2,2-ditert-butyl-5,6-difluoro-1,3-dihydroinden-1-amine;(5S)-6,6-ditert-butyl-5,7-dihydrocyclopenta[b]pyridin-5-amine;(6S)-5,5-ditert-butyl-4,6-dihydrocyclopenta[d][1,3]thiazol-6-amine;(1R)-2,2-ditert-butyl-1,3-dihydroinden-1-amine;(1R)-2,2-ditert-butyl-6-methoxy-1,3-dihydroinden-1-amine.
What is the SMILES notation for 1-tert-butyl-4-methylpiperidin-4-amine;(3R)-2,2-ditert-butyl-3H-1-benzofuran-3-amine;(1R)-2,2-ditert-butyl-5,6-difluoro-1,3-dihydroinden-1-amine;(5S)-6,6-ditert-butyl-5,7-dihydrocyclopenta[b]pyridin-5-amine;(6S)-5,5-ditert-butyl-4,6-dihydrocyclopenta[d][1,3]thiazol-6-amine;(1R)-2,2-ditert-butyl-1,3-dihydroinden-1-amine;(1R)-2,2-ditert-butyl-6-methoxy-1,3-dihydroinden-1-amine?
The canonical SMILES for 1-tert-butyl-4-methylpiperidin-4-amine;(3R)-2,2-ditert-butyl-3H-1-benzofuran-3-amine;(1R)-2,2-ditert-butyl-5,6-difluoro-1,3-dihydroinden-1-amine;(5S)-6,6-ditert-butyl-5,7-dihydrocyclopenta[b]pyridin-5-amine;(6S)-5,5-ditert-butyl-4,6-dihydrocyclopenta[d][1,3]thiazol-6-amine;(1R)-2,2-ditert-butyl-1,3-dihydroinden-1-amine;(1R)-2,2-ditert-butyl-6-methoxy-1,3-dihydroinden-1-amine is CC(C)(C)C1(C(C)(C)C)Cc2cc(F)c(F)cc2[C@H]1N.CC(C)(C)C1(C(C)(C)C)Cc2ccccc2[C@H]1N.CC(C)(C)C1(C(C)(C)C)Cc2ncccc2[C@H]1N.CC(C)(C)C1(C(C)(C)C)Cc2ncsc2[C@H]1N.CC(C)(C)C1(C(C)(C)C)Oc2ccccc2[C@H]1N.CC1(N)CCN(C(C)(C)C)CC1.COc1ccc2c(c1)[C@@H](N)C(C(C)(C)C)(C(C)(C)C)C2.
What is the InChIKey of 1-tert-butyl-4-methylpiperidin-4-amine;(3R)-2,2-ditert-butyl-3H-1-benzofuran-3-amine;(1R)-2,2-ditert-butyl-5,6-difluoro-1,3-dihydroinden-1-amine;(5S)-6,6-ditert-butyl-5,7-dihydrocyclopenta[b]pyridin-5-amine;(6S)-5,5-ditert-butyl-4,6-dihydrocyclopenta[d][1,3]thiazol-6-amine;(1R)-2,2-ditert-butyl-1,3-dihydroinden-1-amine;(1R)-2,2-ditert-butyl-6-methoxy-1,3-dihydroinden-1-amine?
The InChIKey is IJNLRXLTQAHVAQ-VHCYZOGUSA-N. The full InChI is InChI=1S/C18H29NO.C17H25F2N.C17H27N.C16H26N2.C16H25NO.C14H24N2S.C10H22N2/c1-16(2,3)18(17(4,5)6)11-12-8-9-13(20-7)10-14(12)15(18)19;1-15(2,3)17(16(4,5)6)9-10-7-12(18)13(19)8-11(10)14(17)20;1-15(2,3)17(16(4,5)6)11-12-9-7-8-10-13(12)14(17)18;1-14(2,3)16(15(4,5)6)10-12-11(13(16)17)8-7-9-18-12;1-14(2,3)16(15(4,5)6)13(17)11-9-7-8-10-12(11)18-16;1-12(2,3)14(13(4,5)6)7-9-10(11(14)15)17-8-16-9;1-9(2,3)12-7-5-10(4,11)6-8-12/h8-10,15H,11,19H2,1-7H3;7-8,14H,9,20H2,1-6H3;7-10,14H,11,18H2,1-6H3;7-9,13H,10,17H2,1-6H3;7-10,13H,17H2,1-6H3;8,11H,7,15H2,1-6H3;5-8,11H2,1-4H3/t15-;2*14-;2*13-;11-;/m111111./s1.
What are the key properties of 1-tert-butyl-4-methylpiperidin-4-amine;(3R)-2,2-ditert-butyl-3H-1-benzofuran-3-amine;(1R)-2,2-ditert-butyl-5,6-difluoro-1,3-dihydroinden-1-amine;(5S)-6,6-ditert-butyl-5,7-dihydrocyclopenta[b]pyridin-5-amine;(6S)-5,5-ditert-butyl-4,6-dihydrocyclopenta[d][1,3]thiazol-6-amine;(1R)-2,2-ditert-butyl-1,3-dihydroinden-1-amine;(1R)-2,2-ditert-butyl-6-methoxy-1,3-dihydroinden-1-amine?
1-tert-butyl-4-methylpiperidin-4-amine;(3R)-2,2-ditert-butyl-3H-1-benzofuran-3-amine;(1R)-2,2-ditert-butyl-5,6-difluoro-1,3-dihydroinden-1-amine;(5S)-6,6-ditert-butyl-5,7-dihydrocyclopenta[b]pyridin-5-amine;(6S)-5,5-ditert-butyl-4,6-dihydrocyclopenta[d][1,3]thiazol-6-amine;(1R)-2,2-ditert-butyl-1,3-dihydroinden-1-amine;(1R)-2,2-ditert-butyl-6-methoxy-1,3-dihydroinden-1-amine has a molecular weight of 1718.74 g/mol, XLogP of 26.25, 1 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methylpiperidin-4-amine;(3R)-2,2-ditert-butyl-3H-1-benzofuran-3-amine;(1R)-2,2-ditert-butyl-5,6-difluoro-1,3-dihydroinden-1-amine;(5S)-6,6-ditert-butyl-5,7-dihydrocyclopenta[b]pyridin-5-amine;(6S)-5,5-ditert-butyl-4,6-dihydrocyclopenta[d][1,3]thiazol-6-amine;(1R)-2,2-ditert-butyl-1,3-dihydroinden-1-amine;(1R)-2,2-ditert-butyl-6-methoxy-1,3-dihydroinden-1-amine is sourced from PubChem (CID 165001914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).