2-tert-butylpyrimidine;ethane;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

C85H147N7O2 — CID 159512011

IUPAC2-tert-butylpyrimidine;ethane;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESCC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ncccn1.CC(C)C1=CC2N=CC=CC2C1.CC(C)C1CCCCC1.CC(C)C1CCCCCC1.CC(C)N1C(=O)c2ccccc2C1=O.CC(C)c1ccc2ccccc2n1.CC(C)c1cn2c(n1)CCCC2
InChIInChI=1S/C12H13N.C11H11NO2.C11H15N.C10H16N2.C10H20.C9H18.C8H12N2.7C2H6/c1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-7(2)12-10(13)8-5-3-4-6-9(8)11(12)14;1-8(2)10-6-9-4-3-5-12-11(9)7-10;1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-9(2)10-7-5-3-4-6-8-10;1-8(2)9-6-4-3-5-7-9;1-8(2,3)7-9-5-4-6-10-7;7*1-2/h3-9H,1-2H3;3-7H,1-2H3;3-5,7-9,11H,6H2,1-2H3;7-8H,3-6H2,1-2H3;9-10H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;4-6H,1-3H3;7*1-2H3
InChIKeyMASIZVHVMSBGHP-UHFFFAOYSA-N
MW1299.16 g/mol
LogP25.78
Rot. Bonds6

About 2-tert-butylpyrimidine;ethane;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

2-tert-butylpyrimidine;ethane;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (PubChem CID 159512011) has the molecular formula C85H147N7O2 and a molecular weight of 1299.16 g/mol. Its IUPAC name is 2-tert-butylpyrimidine;ethane;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-tert-butylpyrimidine;ethane;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
PubChem CID159512011
Molecular FormulaC85H147N7O2
Molecular Weight1299.16 g/mol
Exact Mass1298.16
IUPAC Name2-tert-butylpyrimidine;ethane;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESCC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ncccn1.CC(C)C1=CC2N=CC=CC2C1.CC(C)C1CCCCC1.CC(C)C1CCCCCC1.CC(C)N1C(=O)c2ccccc2C1=O.CC(C)c1ccc2ccccc2n1.CC(C)c1cn2c(n1)CCCC2
InChIInChI=1S/C12H13N.C11H11NO2.C11H15N.C10H16N2.C10H20.C9H18.C8H12N2.7C2H6/c1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-7(2)12-10(13)8-5-3-4-6-9(8)11(12)14;1-8(2)10-6-9-4-3-5-12-11(9)7-10;1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-9(2)10-7-5-3-4-6-8-10;1-8(2)9-6-4-3-5-7-9;1-8(2,3)7-9-5-4-6-10-7;7*1-2/h3-9H,1-2H3;3-7H,1-2H3;3-5,7-9,11H,6H2,1-2H3;7-8H,3-6H2,1-2H3;9-10H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;4-6H,1-3H3;7*1-2H3
InChIKeyMASIZVHVMSBGHP-UHFFFAOYSA-N
XLogP25.78
TPSA106.23 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001299.16
LogP ≤ 525.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-tert-butylpyrimidine;ethane;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine with MolForge

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Related Compounds

tert-butylbenzene;ethane;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indene;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
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2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 58720010
ethane;2-propan-2-ylquinoline
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methane;2-propan-2-ylquinoline
CID 161334581
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CID 178053427
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CID 53201122
1-methylsulfonyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]piperidine-4-carboxamide
CID 121023240
2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 82117431
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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylpyrimidine;ethane;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The IUPAC name of 2-tert-butylpyrimidine;ethane;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (CID 159512011) is 2-tert-butylpyrimidine;ethane;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-tert-butylpyrimidine;ethane;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The canonical SMILES for 2-tert-butylpyrimidine;ethane;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ncccn1.CC(C)C1=CC2N=CC=CC2C1.CC(C)C1CCCCC1.CC(C)C1CCCCCC1.CC(C)N1C(=O)c2ccccc2C1=O.CC(C)c1ccc2ccccc2n1.CC(C)c1cn2c(n1)CCCC2.
What is the InChIKey of 2-tert-butylpyrimidine;ethane;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The InChIKey is MASIZVHVMSBGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N.C11H11NO2.C11H15N.C10H16N2.C10H20.C9H18.C8H12N2.7C2H6/c1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-7(2)12-10(13)8-5-3-4-6-9(8)11(12)14;1-8(2)10-6-9-4-3-5-12-11(9)7-10;1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-9(2)10-7-5-3-4-6-8-10;1-8(2)9-6-4-3-5-7-9;1-8(2,3)7-9-5-4-6-10-7;7*1-2/h3-9H,1-2H3;3-7H,1-2H3;3-5,7-9,11H,6H2,1-2H3;7-8H,3-6H2,1-2H3;9-10H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;4-6H,1-3H3;7*1-2H3.
What are the key properties of 2-tert-butylpyrimidine;ethane;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
2-tert-butylpyrimidine;ethane;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine has a molecular weight of 1299.16 g/mol, XLogP of 25.78, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylpyrimidine;ethane;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 159512011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).