1-amino-3,3-dimethylbutan-2-one;(4S)-4-amino-2,2-dimethylpentan-3-one;(5S)-5-amino-10,10-dimethylundecane-2,6,9-trione;(4S)-4-amino-2,2,5-trimethylhexan-3-one;(4R,7S)-7-amino-2,2,4-trimethyloctane-3,6-dione;(2S)-2,6-diamino-1-[(2S)-2-(2,2-dimethylpropanoyl)pyrrolidin-1-yl]hexan-1-one;methane;sulfane

C66H154N8O10S7 — CID 157112286

About 1-amino-3,3-dimethylbutan-2-one;(4S)-4-amino-2,2-dimethylpentan-3-one;(5S)-5-amino-10,10-dimethylundecane-2,6,9-trione;(4S)-4-amino-2,2,5-trimethylhexan-3-one;(4R,7S)-7-amino-2,2,4-trimethyloctane-3,6-dione;(2S)-2,6-diamino-1-[(2S)-2-(2,2-dimethylpropanoyl)pyrrolidin-1-yl]hexan-1-one;methane;sulfane

1-amino-3,3-dimethylbutan-2-one;(4S)-4-amino-2,2-dimethylpentan-3-one;(5S)-5-amino-10,10-dimethylundecane-2,6,9-trione;(4S)-4-amino-2,2,5-trimethylhexan-3-one;(4R,7S)-7-amino-2,2,4-trimethyloctane-3,6-dione;(2S)-2,6-diamino-1-[(2S)-2-(2,2-dimethylpropanoyl)pyrrolidin-1-yl]hexan-1-one;methane;sulfane (PubChem CID 157112286) has the molecular formula C66H154N8O10S7 and a molecular weight of 1444.47 g/mol. Its IUPAC name is 1-amino-3,3-dimethylbutan-2-one;(4S)-4-amino-2,2-dimethylpentan-3-one;(5S)-5-amino-10,10-dimethylundecane-2,6,9-trione;(4S)-4-amino-2,2,5-trimethylhexan-3-one;(4R,7S)-7-amino-2,2,4-trimethyloctane-3,6-dione;(2S)-2,6-diamino-1-[(2S)-2-(2,2-dimethylpropanoyl)pyrrolidin-1-yl]hexan-1-one;methane;sulfane.

Molecular Properties

• Compound Name: 1-amino-3,3-dimethylbutan-2-one;(4S)-4-amino-2,2-dimethylpentan-3-one;(5S)-5-amino-10,10-dimethylundecane-2,6,9-trione;(4S)-4-amino-2,2,5-trimethylhexan-3-one;(4R,7S)-7-amino-2,2,4-trimethyloctane-3,6-dione;(2S)-2,6-diamino-1-[(2S)-2-(2,2-dimethylpropanoyl)pyrrolidin-1-yl]hexan-1-one;methane;sulfane
• PubChem CID: 157112286
• Molecular Formula: C66H154N8O10S7
• Molecular Weight: 1444.47 g/mol
• Exact Mass: 1442.98
• IUPAC Name: 1-amino-3,3-dimethylbutan-2-one;(4S)-4-amino-2,2-dimethylpentan-3-one;(5S)-5-amino-10,10-dimethylundecane-2,6,9-trione;(4S)-4-amino-2,2,5-trimethylhexan-3-one;(4R,7S)-7-amino-2,2,4-trimethyloctane-3,6-dione;(2S)-2,6-diamino-1-[(2S)-2-(2,2-dimethylpropanoyl)pyrrolidin-1-yl]hexan-1-one;methane;sulfane
• SMILES: C.C.C.C.C.CC(=O)CC[C@H](N)C(=O)CCC(=O)C(C)(C)C.CC(C)(C)C(=O)CN.CC(C)(C)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN.CC(C)C(N)C(=O)C(C)(C)C.C[C@H](N)C(=O)C(C)(C)C.C[C@H](N)C(=O)C[C@@H](C)C(=O)C(C)(C)C.S.S.S.S.S.S.S
• InChI: InChI=1S/C15H29N3O2.C13H23NO3.C11H21NO2.C9H19NO.C7H15NO.C6H13NO.5CH4.7H2S/c1-15(2,3)13(19)12-8-6-10-18(12)14(20)11(17)7-4-5-9-16;1-9(15)5-6-10(14)11(16)7-8-12(17)13(2,3)4;1-7(6-9(13)8(2)12)10(14)11(3,4)5;1-6(2)7(10)8(11)9(3,4)5;1-5(8)6(9)7(2,3)4;1-6(2,3)5(8)4-7;;;;;;;;;;;;/h11-12H,4-10,16-17H2,1-3H3;10H,5-8,14H2,1-4H3;7-8H,6,12H2,1-5H3;6-7H,10H2,1-5H3;5H,8H2,1-4H3;4,7H2,1-3H3;5*1H4;7*1H2/t11-,12-;10-;7-,8+;;5-;;;;;;;;;;;;;/m001.0............./s1
• InChIKey: AGZMDGBWNNTMHW-LCFCQYDKSA-N
• XLogP: 11.30
• TPSA: 356.08 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 21
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1444.47
LogP ≤ 5	11.30
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-amino-3,3-dimethylbutan-2-one;(4S)-4-amino-2,2-dimethylpentan-3-one;(5S)-5-amino-10,10-dimethylundecane-2,6,9-trione;(4S)-4-amino-2,2,5-trimethylhexan-3-one;(4R,7S)-7-amino-2,2,4-trimethyloctane-3,6-dione;(2S)-2,6-diamino-1-[(2S)-2-(2,2-dimethylpropanoyl)pyrrolidin-1-yl]hexan-1-one;methane;sulfane?

The IUPAC name of 1-amino-3,3-dimethylbutan-2-one;(4S)-4-amino-2,2-dimethylpentan-3-one;(5S)-5-amino-10,10-dimethylundecane-2,6,9-trione;(4S)-4-amino-2,2,5-trimethylhexan-3-one;(4R,7S)-7-amino-2,2,4-trimethyloctane-3,6-dione;(2S)-2,6-diamino-1-[(2S)-2-(2,2-dimethylpropanoyl)pyrrolidin-1-yl]hexan-1-one;methane;sulfane (CID 157112286) is 1-amino-3,3-dimethylbutan-2-one;(4S)-4-amino-2,2-dimethylpentan-3-one;(5S)-5-amino-10,10-dimethylundecane-2,6,9-trione;(4S)-4-amino-2,2,5-trimethylhexan-3-one;(4R,7S)-7-amino-2,2,4-trimethyloctane-3,6-dione;(2S)-2,6-diamino-1-[(2S)-2-(2,2-dimethylpropanoyl)pyrrolidin-1-yl]hexan-1-one;methane;sulfane.

What is the SMILES notation for 1-amino-3,3-dimethylbutan-2-one;(4S)-4-amino-2,2-dimethylpentan-3-one;(5S)-5-amino-10,10-dimethylundecane-2,6,9-trione;(4S)-4-amino-2,2,5-trimethylhexan-3-one;(4R,7S)-7-amino-2,2,4-trimethyloctane-3,6-dione;(2S)-2,6-diamino-1-[(2S)-2-(2,2-dimethylpropanoyl)pyrrolidin-1-yl]hexan-1-one;methane;sulfane?

The canonical SMILES for 1-amino-3,3-dimethylbutan-2-one;(4S)-4-amino-2,2-dimethylpentan-3-one;(5S)-5-amino-10,10-dimethylundecane-2,6,9-trione;(4S)-4-amino-2,2,5-trimethylhexan-3-one;(4R,7S)-7-amino-2,2,4-trimethyloctane-3,6-dione;(2S)-2,6-diamino-1-[(2S)-2-(2,2-dimethylpropanoyl)pyrrolidin-1-yl]hexan-1-one;methane;sulfane is C.C.C.C.C.CC(=O)CC[C@H](N)C(=O)CCC(=O)C(C)(C)C.CC(C)(C)C(=O)CN.CC(C)(C)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN.CC(C)C(N)C(=O)C(C)(C)C.C[C@H](N)C(=O)C(C)(C)C.C[C@H](N)C(=O)C[C@@H](C)C(=O)C(C)(C)C.S.S.S.S.S.S.S.

What is the InChIKey of 1-amino-3,3-dimethylbutan-2-one;(4S)-4-amino-2,2-dimethylpentan-3-one;(5S)-5-amino-10,10-dimethylundecane-2,6,9-trione;(4S)-4-amino-2,2,5-trimethylhexan-3-one;(4R,7S)-7-amino-2,2,4-trimethyloctane-3,6-dione;(2S)-2,6-diamino-1-[(2S)-2-(2,2-dimethylpropanoyl)pyrrolidin-1-yl]hexan-1-one;methane;sulfane?

The InChIKey is AGZMDGBWNNTMHW-LCFCQYDKSA-N. The full InChI is InChI=1S/C15H29N3O2.C13H23NO3.C11H21NO2.C9H19NO.C7H15NO.C6H13NO.5CH4.7H2S/c1-15(2,3)13(19)12-8-6-10-18(12)14(20)11(17)7-4-5-9-16;1-9(15)5-6-10(14)11(16)7-8-12(17)13(2,3)4;1-7(6-9(13)8(2)12)10(14)11(3,4)5;1-6(2)7(10)8(11)9(3,4)5;1-5(8)6(9)7(2,3)4;1-6(2,3)5(8)4-7;;;;;;;;;;;;/h11-12H,4-10,16-17H2,1-3H3;10H,5-8,14H2,1-4H3;7-8H,6,12H2,1-5H3;6-7H,10H2,1-5H3;5H,8H2,1-4H3;4,7H2,1-3H3;5*1H4;7*1H2/t11-,12-;10-;7-,8+;;5-;;;;;;;;;;;;;/m001.0............./s1.

What are the key properties of 1-amino-3,3-dimethylbutan-2-one;(4S)-4-amino-2,2-dimethylpentan-3-one;(5S)-5-amino-10,10-dimethylundecane-2,6,9-trione;(4S)-4-amino-2,2,5-trimethylhexan-3-one;(4R,7S)-7-amino-2,2,4-trimethyloctane-3,6-dione;(2S)-2,6-diamino-1-[(2S)-2-(2,2-dimethylpropanoyl)pyrrolidin-1-yl]hexan-1-one;methane;sulfane?

1-amino-3,3-dimethylbutan-2-one;(4S)-4-amino-2,2-dimethylpentan-3-one;(5S)-5-amino-10,10-dimethylundecane-2,6,9-trione;(4S)-4-amino-2,2,5-trimethylhexan-3-one;(4R,7S)-7-amino-2,2,4-trimethyloctane-3,6-dione;(2S)-2,6-diamino-1-[(2S)-2-(2,2-dimethylpropanoyl)pyrrolidin-1-yl]hexan-1-one;methane;sulfane has a molecular weight of 1444.47 g/mol, XLogP of 11.30, 21 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-amino-3,3-dimethylbutan-2-one;(4S)-4-amino-2,2-dimethylpentan-3-one;(5S)-5-amino-10,10-dimethylundecane-2,6,9-trione;(4S)-4-amino-2,2,5-trimethylhexan-3-one;(4R,7S)-7-amino-2,2,4-trimethyloctane-3,6-dione;(2S)-2,6-diamino-1-[(2S)-2-(2,2-dimethylpropanoyl)pyrrolidin-1-yl]hexan-1-one;methane;sulfane is sourced from PubChem (CID 157112286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).