potassium;butane;[(5E)-1-(2,3-dihydro-1H-inden-5-yl)-5-ethylidene-6-methylidene-4-oxo-3-pyridinyl]-(2-methylcyclopropyl)oxyazanide;3-(4-methylcycloheptyl)-N-(3-methylpent-1-en-2-yl)aniline;propane

C48H72KN3O2 — CID 143666471

IUPACpotassium;butane;[(5E)-1-(2,3-dihydro-1H-inden-5-yl)-5-ethylidene-6-methylidene-4-oxo-3-pyridinyl]-(2-methylcyclopropyl)oxyazanide;3-(4-methylcycloheptyl)-N-(3-methylpent-1-en-2-yl)aniline;propane
SMILESC=C(Nc1cccc(C2CCCC(C)CC2)c1)C(C)CC.C=c1/c(=C\C)c(=O)c([N-]OC2CC2C)cn1-c1ccc2c(c1)CCC2.CCC.CCCC.[K+]
InChIInChI=1S/C21H23N2O2.C20H31N.C4H10.C3H8.K/c1-4-18-14(3)23(17-9-8-15-6-5-7-16(15)11-17)12-19(21(18)24)22-25-20-10-13(20)2;1-5-16(3)17(4)21-20-11-7-10-19(14-20)18-9-6-8-15(2)12-13-18;1-3-4-2;1-3-2;/h4,8-9,11-13,20H,3,5-7,10H2,1-2H3;7,10-11,14-16,18,21H,4-6,8-9,12-13H2,1-3H3;3-4H2,1-2H3;3H2,1-2H3;/q-1;;;;+1/b18-4+;;;;
InChIKeyOLNBXIWIIKNDFJ-SENUZJBXSA-N
MW762.22 g/mol
LogP9.45
Rot. Bonds10

About potassium;butane;[(5E)-1-(2,3-dihydro-1H-inden-5-yl)-5-ethylidene-6-methylidene-4-oxo-3-pyridinyl]-(2-methylcyclopropyl)oxyazanide;3-(4-methylcycloheptyl)-N-(3-methylpent-1-en-2-yl)aniline;propane

potassium;butane;[(5E)-1-(2,3-dihydro-1H-inden-5-yl)-5-ethylidene-6-methylidene-4-oxo-3-pyridinyl]-(2-methylcyclopropyl)oxyazanide;3-(4-methylcycloheptyl)-N-(3-methylpent-1-en-2-yl)aniline;propane (PubChem CID 143666471) has the molecular formula C48H72KN3O2 and a molecular weight of 762.22 g/mol. Its IUPAC name is potassium;butane;[(5E)-1-(2,3-dihydro-1H-inden-5-yl)-5-ethylidene-6-methylidene-4-oxo-3-pyridinyl]-(2-methylcyclopropyl)oxyazanide;3-(4-methylcycloheptyl)-N-(3-methylpent-1-en-2-yl)aniline;propane.

Molecular Properties

Compound Namepotassium;butane;[(5E)-1-(2,3-dihydro-1H-inden-5-yl)-5-ethylidene-6-methylidene-4-oxo-3-pyridinyl]-(2-methylcyclopropyl)oxyazanide;3-(4-methylcycloheptyl)-N-(3-methylpent-1-en-2-yl)aniline;propane
PubChem CID143666471
Molecular FormulaC48H72KN3O2
Molecular Weight762.22 g/mol
Exact Mass761.53
IUPAC Namepotassium;butane;[(5E)-1-(2,3-dihydro-1H-inden-5-yl)-5-ethylidene-6-methylidene-4-oxo-3-pyridinyl]-(2-methylcyclopropyl)oxyazanide;3-(4-methylcycloheptyl)-N-(3-methylpent-1-en-2-yl)aniline;propane
SMILESC=C(Nc1cccc(C2CCCC(C)CC2)c1)C(C)CC.C=c1/c(=C\C)c(=O)c([N-]OC2CC2C)cn1-c1ccc2c(c1)CCC2.CCC.CCCC.[K+]
InChIInChI=1S/C21H23N2O2.C20H31N.C4H10.C3H8.K/c1-4-18-14(3)23(17-9-8-15-6-5-7-16(15)11-17)12-19(21(18)24)22-25-20-10-13(20)2;1-5-16(3)17(4)21-20-11-7-10-19(14-20)18-9-6-8-15(2)12-13-18;1-3-4-2;1-3-2;/h4,8-9,11-13,20H,3,5-7,10H2,1-2H3;7,10-11,14-16,18,21H,4-6,8-9,12-13H2,1-3H3;3-4H2,1-2H3;3H2,1-2H3;/q-1;;;;+1/b18-4+;;;;
InChIKeyOLNBXIWIIKNDFJ-SENUZJBXSA-N
XLogP9.45
TPSA57.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.22
LogP ≤ 59.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze potassium;butane;[(5E)-1-(2,3-dihydro-1H-inden-5-yl)-5-ethylidene-6-methylidene-4-oxo-3-pyridinyl]-(2-methylcyclopropyl)oxyazanide;3-(4-methylcycloheptyl)-N-(3-methylpent-1-en-2-yl)aniline;propane with MolForge

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Frequently Asked Questions

What is the IUPAC name of potassium;butane;[(5E)-1-(2,3-dihydro-1H-inden-5-yl)-5-ethylidene-6-methylidene-4-oxo-3-pyridinyl]-(2-methylcyclopropyl)oxyazanide;3-(4-methylcycloheptyl)-N-(3-methylpent-1-en-2-yl)aniline;propane?
The IUPAC name of potassium;butane;[(5E)-1-(2,3-dihydro-1H-inden-5-yl)-5-ethylidene-6-methylidene-4-oxo-3-pyridinyl]-(2-methylcyclopropyl)oxyazanide;3-(4-methylcycloheptyl)-N-(3-methylpent-1-en-2-yl)aniline;propane (CID 143666471) is potassium;butane;[(5E)-1-(2,3-dihydro-1H-inden-5-yl)-5-ethylidene-6-methylidene-4-oxo-3-pyridinyl]-(2-methylcyclopropyl)oxyazanide;3-(4-methylcycloheptyl)-N-(3-methylpent-1-en-2-yl)aniline;propane.
What is the SMILES notation for potassium;butane;[(5E)-1-(2,3-dihydro-1H-inden-5-yl)-5-ethylidene-6-methylidene-4-oxo-3-pyridinyl]-(2-methylcyclopropyl)oxyazanide;3-(4-methylcycloheptyl)-N-(3-methylpent-1-en-2-yl)aniline;propane?
The canonical SMILES for potassium;butane;[(5E)-1-(2,3-dihydro-1H-inden-5-yl)-5-ethylidene-6-methylidene-4-oxo-3-pyridinyl]-(2-methylcyclopropyl)oxyazanide;3-(4-methylcycloheptyl)-N-(3-methylpent-1-en-2-yl)aniline;propane is C=C(Nc1cccc(C2CCCC(C)CC2)c1)C(C)CC.C=c1/c(=C\C)c(=O)c([N-]OC2CC2C)cn1-c1ccc2c(c1)CCC2.CCC.CCCC.[K+].
What is the InChIKey of potassium;butane;[(5E)-1-(2,3-dihydro-1H-inden-5-yl)-5-ethylidene-6-methylidene-4-oxo-3-pyridinyl]-(2-methylcyclopropyl)oxyazanide;3-(4-methylcycloheptyl)-N-(3-methylpent-1-en-2-yl)aniline;propane?
The InChIKey is OLNBXIWIIKNDFJ-SENUZJBXSA-N. The full InChI is InChI=1S/C21H23N2O2.C20H31N.C4H10.C3H8.K/c1-4-18-14(3)23(17-9-8-15-6-5-7-16(15)11-17)12-19(21(18)24)22-25-20-10-13(20)2;1-5-16(3)17(4)21-20-11-7-10-19(14-20)18-9-6-8-15(2)12-13-18;1-3-4-2;1-3-2;/h4,8-9,11-13,20H,3,5-7,10H2,1-2H3;7,10-11,14-16,18,21H,4-6,8-9,12-13H2,1-3H3;3-4H2,1-2H3;3H2,1-2H3;/q-1;;;;+1/b18-4+;;;;.
What are the key properties of potassium;butane;[(5E)-1-(2,3-dihydro-1H-inden-5-yl)-5-ethylidene-6-methylidene-4-oxo-3-pyridinyl]-(2-methylcyclopropyl)oxyazanide;3-(4-methylcycloheptyl)-N-(3-methylpent-1-en-2-yl)aniline;propane?
potassium;butane;[(5E)-1-(2,3-dihydro-1H-inden-5-yl)-5-ethylidene-6-methylidene-4-oxo-3-pyridinyl]-(2-methylcyclopropyl)oxyazanide;3-(4-methylcycloheptyl)-N-(3-methylpent-1-en-2-yl)aniline;propane has a molecular weight of 762.22 g/mol, XLogP of 9.45, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;butane;[(5E)-1-(2,3-dihydro-1H-inden-5-yl)-5-ethylidene-6-methylidene-4-oxo-3-pyridinyl]-(2-methylcyclopropyl)oxyazanide;3-(4-methylcycloheptyl)-N-(3-methylpent-1-en-2-yl)aniline;propane is sourced from PubChem (CID 143666471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).