potassium;ethane;6-[2-methanidyl-4-(2-methylpropanoyl)-4-[methyl(propan-2-yl)amino]cyclopenten-1-yl]-2,4-dimethyl-4-[methyl(propan-2-yl)amino]hexan-3-one;2-methyl-4-[methyl(propan-2-yl)amino]pentan-3-one

C40H79KN3O3- — CID 162282799

IUPACpotassium;ethane;6-[2-methanidyl-4-(2-methylpropanoyl)-4-[methyl(propan-2-yl)amino]cyclopenten-1-yl]-2,4-dimethyl-4-[methyl(propan-2-yl)amino]hexan-3-one;2-methyl-4-[methyl(propan-2-yl)amino]pentan-3-one
SMILESCC.CC.C[C-](C(=O)C(C)C)N(C)C(C)C.[CH2-]C1=C(CCC(C)(C(=O)C(C)C)N(C)C(C)C)CC(C(=O)C(C)C)(N(C)C(C)C)C1.[K+]
InChIInChI=1S/C26H47N2O2.C10H20NO.2C2H6.K/c1-17(2)23(29)25(10,27(11)19(5)6)14-13-22-16-26(15-21(22)9,24(30)18(3)4)28(12)20(7)8;1-7(2)10(12)9(5)11(6)8(3)4;2*1-2;/h17-20H,9,13-16H2,1-8,10-12H3;7-8H,1-6H3;2*1-2H3;/q2*-1;;;+1
InChIKeyXCOOGWJLWRVMOG-UHFFFAOYSA-N
MW689.19 g/mol
LogP6.48
Rot. Bonds15

About potassium;ethane;6-[2-methanidyl-4-(2-methylpropanoyl)-4-[methyl(propan-2-yl)amino]cyclopenten-1-yl]-2,4-dimethyl-4-[methyl(propan-2-yl)amino]hexan-3-one;2-methyl-4-[methyl(propan-2-yl)amino]pentan-3-one

potassium;ethane;6-[2-methanidyl-4-(2-methylpropanoyl)-4-[methyl(propan-2-yl)amino]cyclopenten-1-yl]-2,4-dimethyl-4-[methyl(propan-2-yl)amino]hexan-3-one;2-methyl-4-[methyl(propan-2-yl)amino]pentan-3-one (PubChem CID 162282799) has the molecular formula C40H79KN3O3- and a molecular weight of 689.19 g/mol. Its IUPAC name is potassium;ethane;6-[2-methanidyl-4-(2-methylpropanoyl)-4-[methyl(propan-2-yl)amino]cyclopenten-1-yl]-2,4-dimethyl-4-[methyl(propan-2-yl)amino]hexan-3-one;2-methyl-4-[methyl(propan-2-yl)amino]pentan-3-one.

Molecular Properties

Compound Namepotassium;ethane;6-[2-methanidyl-4-(2-methylpropanoyl)-4-[methyl(propan-2-yl)amino]cyclopenten-1-yl]-2,4-dimethyl-4-[methyl(propan-2-yl)amino]hexan-3-one;2-methyl-4-[methyl(propan-2-yl)amino]pentan-3-one
PubChem CID162282799
Molecular FormulaC40H79KN3O3-
Molecular Weight689.19 g/mol
Exact Mass688.58
IUPAC Namepotassium;ethane;6-[2-methanidyl-4-(2-methylpropanoyl)-4-[methyl(propan-2-yl)amino]cyclopenten-1-yl]-2,4-dimethyl-4-[methyl(propan-2-yl)amino]hexan-3-one;2-methyl-4-[methyl(propan-2-yl)amino]pentan-3-one
SMILESCC.CC.C[C-](C(=O)C(C)C)N(C)C(C)C.[CH2-]C1=C(CCC(C)(C(=O)C(C)C)N(C)C(C)C)CC(C(=O)C(C)C)(N(C)C(C)C)C1.[K+]
InChIInChI=1S/C26H47N2O2.C10H20NO.2C2H6.K/c1-17(2)23(29)25(10,27(11)19(5)6)14-13-22-16-26(15-21(22)9,24(30)18(3)4)28(12)20(7)8;1-7(2)10(12)9(5)11(6)8(3)4;2*1-2;/h17-20H,9,13-16H2,1-8,10-12H3;7-8H,1-6H3;2*1-2H3;/q2*-1;;;+1
InChIKeyXCOOGWJLWRVMOG-UHFFFAOYSA-N
XLogP6.48
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.19
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze potassium;ethane;6-[2-methanidyl-4-(2-methylpropanoyl)-4-[methyl(propan-2-yl)amino]cyclopenten-1-yl]-2,4-dimethyl-4-[methyl(propan-2-yl)amino]hexan-3-one;2-methyl-4-[methyl(propan-2-yl)amino]pentan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of potassium;ethane;6-[2-methanidyl-4-(2-methylpropanoyl)-4-[methyl(propan-2-yl)amino]cyclopenten-1-yl]-2,4-dimethyl-4-[methyl(propan-2-yl)amino]hexan-3-one;2-methyl-4-[methyl(propan-2-yl)amino]pentan-3-one?
The IUPAC name of potassium;ethane;6-[2-methanidyl-4-(2-methylpropanoyl)-4-[methyl(propan-2-yl)amino]cyclopenten-1-yl]-2,4-dimethyl-4-[methyl(propan-2-yl)amino]hexan-3-one;2-methyl-4-[methyl(propan-2-yl)amino]pentan-3-one (CID 162282799) is potassium;ethane;6-[2-methanidyl-4-(2-methylpropanoyl)-4-[methyl(propan-2-yl)amino]cyclopenten-1-yl]-2,4-dimethyl-4-[methyl(propan-2-yl)amino]hexan-3-one;2-methyl-4-[methyl(propan-2-yl)amino]pentan-3-one.
What is the SMILES notation for potassium;ethane;6-[2-methanidyl-4-(2-methylpropanoyl)-4-[methyl(propan-2-yl)amino]cyclopenten-1-yl]-2,4-dimethyl-4-[methyl(propan-2-yl)amino]hexan-3-one;2-methyl-4-[methyl(propan-2-yl)amino]pentan-3-one?
The canonical SMILES for potassium;ethane;6-[2-methanidyl-4-(2-methylpropanoyl)-4-[methyl(propan-2-yl)amino]cyclopenten-1-yl]-2,4-dimethyl-4-[methyl(propan-2-yl)amino]hexan-3-one;2-methyl-4-[methyl(propan-2-yl)amino]pentan-3-one is CC.CC.C[C-](C(=O)C(C)C)N(C)C(C)C.[CH2-]C1=C(CCC(C)(C(=O)C(C)C)N(C)C(C)C)CC(C(=O)C(C)C)(N(C)C(C)C)C1.[K+].
What is the InChIKey of potassium;ethane;6-[2-methanidyl-4-(2-methylpropanoyl)-4-[methyl(propan-2-yl)amino]cyclopenten-1-yl]-2,4-dimethyl-4-[methyl(propan-2-yl)amino]hexan-3-one;2-methyl-4-[methyl(propan-2-yl)amino]pentan-3-one?
The InChIKey is XCOOGWJLWRVMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H47N2O2.C10H20NO.2C2H6.K/c1-17(2)23(29)25(10,27(11)19(5)6)14-13-22-16-26(15-21(22)9,24(30)18(3)4)28(12)20(7)8;1-7(2)10(12)9(5)11(6)8(3)4;2*1-2;/h17-20H,9,13-16H2,1-8,10-12H3;7-8H,1-6H3;2*1-2H3;/q2*-1;;;+1.
What are the key properties of potassium;ethane;6-[2-methanidyl-4-(2-methylpropanoyl)-4-[methyl(propan-2-yl)amino]cyclopenten-1-yl]-2,4-dimethyl-4-[methyl(propan-2-yl)amino]hexan-3-one;2-methyl-4-[methyl(propan-2-yl)amino]pentan-3-one?
potassium;ethane;6-[2-methanidyl-4-(2-methylpropanoyl)-4-[methyl(propan-2-yl)amino]cyclopenten-1-yl]-2,4-dimethyl-4-[methyl(propan-2-yl)amino]hexan-3-one;2-methyl-4-[methyl(propan-2-yl)amino]pentan-3-one has a molecular weight of 689.19 g/mol, XLogP of 6.48, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;ethane;6-[2-methanidyl-4-(2-methylpropanoyl)-4-[methyl(propan-2-yl)amino]cyclopenten-1-yl]-2,4-dimethyl-4-[methyl(propan-2-yl)amino]hexan-3-one;2-methyl-4-[methyl(propan-2-yl)amino]pentan-3-one is sourced from PubChem (CID 162282799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).