ethane;1-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-ol;1-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-one;methane;1-methyl-3-propan-2-yladamantane;1-methyl-4-propan-2-yladamantane;4-methyl-1-propan-2-yladamantane;1-methyl-4-propan-2-ylbicyclo[2.2.1]heptane;1-methyl-4-propan-2-ylbicyclo[2.2.2]octane;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yladamantane;2-propan-2-yladamantane;propan-2-ylcyclohexane

C151H261N5O2 — CID 159355317

IUPACethane;1-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-ol;1-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-one;methane;1-methyl-3-propan-2-yladamantane;1-methyl-4-propan-2-yladamantane;4-methyl-1-propan-2-yladamantane;1-methyl-4-propan-2-ylbicyclo[2.2.1]heptane;1-methyl-4-propan-2-ylbicyclo[2.2.2]octane;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yladamantane;2-propan-2-yladamantane;propan-2-ylcyclohexane
SMILESC.C.CC.CC.CC(=O)CC1c2ccccc2-c2cncn21.CC(C)C12CC3CC(CC(C)(C3)C1)C2.CC(C)C12CC3CC(CC(C3)C1)C2.CC(C)C12CCC(C)(CC1)C2.CC(C)C12CCC(C)(CC1)CC2.CC(C)C1C2CC3CC(C2)CC1C3.CC(C)C1C2CC3CC1CC(C)(C3)C2.CC(C)C1CCCCC1.CC(C)C1CCN(C)CC1.CC(O)CC1c2ccccc2-c2cncn21.CC1C2CC3CC1CC(C(C)C)(C3)C2.CC1CCC(C(C)C)CC1
InChIInChI=1S/3C14H24.C13H14N2O.C13H12N2O.2C13H22.C12H22.C11H20.C10H20.C9H19N.C9H18.2C2H6.2CH4/c1-10(2)14-7-11-4-12(8-14)6-13(3,5-11)9-14;1-9(2)13-11-4-10-5-12(13)8-14(3,6-10)7-11;1-9(2)14-6-11-4-12(7-14)10(3)13(5-11)8-14;2*1-9(16)6-12-10-4-2-3-5-11(10)13-7-14-8-15(12)13;1-9(2)13-6-10-3-11(7-13)5-12(4-10)8-13;1-8(2)13-11-4-9-3-10(6-11)7-12(13)5-9;1-10(2)12-7-4-11(3,5-8-12)6-9-12;1-9(2)11-6-4-10(3,8-11)5-7-11;1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-4-6-10(3)7-5-9;1-8(2)9-6-4-3-5-7-9;2*1-2;;/h10-12H,4-9H2,1-3H3;2*9-13H,4-8H2,1-3H3;2-5,7-9,12,16H,6H2,1H3;2-5,7-8,12H,6H2,1H3;9-12H,3-8H2,1-2H3;8-13H,3-7H2,1-2H3;10H,4-9H2,1-3H3;9H,4-8H2,1-3H3;8-10H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;2*1-2H3;2*1H4
InChIKeyLHVRRBDNOYOSOE-UHFFFAOYSA-N
MW2178.78 g/mol
LogP44.30
Rot. Bonds14

About ethane;1-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-ol;1-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-one;methane;1-methyl-3-propan-2-yladamantane;1-methyl-4-propan-2-yladamantane;4-methyl-1-propan-2-yladamantane;1-methyl-4-propan-2-ylbicyclo[2.2.1]heptane;1-methyl-4-propan-2-ylbicyclo[2.2.2]octane;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yladamantane;2-propan-2-yladamantane;propan-2-ylcyclohexane

ethane;1-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-ol;1-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-one;methane;1-methyl-3-propan-2-yladamantane;1-methyl-4-propan-2-yladamantane;4-methyl-1-propan-2-yladamantane;1-methyl-4-propan-2-ylbicyclo[2.2.1]heptane;1-methyl-4-propan-2-ylbicyclo[2.2.2]octane;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yladamantane;2-propan-2-yladamantane;propan-2-ylcyclohexane (PubChem CID 159355317) has the molecular formula C151H261N5O2 and a molecular weight of 2178.78 g/mol. Its IUPAC name is ethane;1-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-ol;1-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-one;methane;1-methyl-3-propan-2-yladamantane;1-methyl-4-propan-2-yladamantane;4-methyl-1-propan-2-yladamantane;1-methyl-4-propan-2-ylbicyclo[2.2.1]heptane;1-methyl-4-propan-2-ylbicyclo[2.2.2]octane;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yladamantane;2-propan-2-yladamantane;propan-2-ylcyclohexane.

Molecular Properties

Compound Nameethane;1-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-ol;1-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-one;methane;1-methyl-3-propan-2-yladamantane;1-methyl-4-propan-2-yladamantane;4-methyl-1-propan-2-yladamantane;1-methyl-4-propan-2-ylbicyclo[2.2.1]heptane;1-methyl-4-propan-2-ylbicyclo[2.2.2]octane;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yladamantane;2-propan-2-yladamantane;propan-2-ylcyclohexane
PubChem CID159355317
Molecular FormulaC151H261N5O2
Molecular Weight2178.78 g/mol
Exact Mass2177.05
IUPAC Nameethane;1-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-ol;1-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-one;methane;1-methyl-3-propan-2-yladamantane;1-methyl-4-propan-2-yladamantane;4-methyl-1-propan-2-yladamantane;1-methyl-4-propan-2-ylbicyclo[2.2.1]heptane;1-methyl-4-propan-2-ylbicyclo[2.2.2]octane;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yladamantane;2-propan-2-yladamantane;propan-2-ylcyclohexane
SMILESC.C.CC.CC.CC(=O)CC1c2ccccc2-c2cncn21.CC(C)C12CC3CC(CC(C)(C3)C1)C2.CC(C)C12CC3CC(CC(C3)C1)C2.CC(C)C12CCC(C)(CC1)C2.CC(C)C12CCC(C)(CC1)CC2.CC(C)C1C2CC3CC(C2)CC1C3.CC(C)C1C2CC3CC1CC(C)(C3)C2.CC(C)C1CCCCC1.CC(C)C1CCN(C)CC1.CC(O)CC1c2ccccc2-c2cncn21.CC1C2CC3CC1CC(C(C)C)(C3)C2.CC1CCC(C(C)C)CC1
InChIInChI=1S/3C14H24.C13H14N2O.C13H12N2O.2C13H22.C12H22.C11H20.C10H20.C9H19N.C9H18.2C2H6.2CH4/c1-10(2)14-7-11-4-12(8-14)6-13(3,5-11)9-14;1-9(2)13-11-4-10-5-12(13)8-14(3,6-10)7-11;1-9(2)14-6-11-4-12(7-14)10(3)13(5-11)8-14;2*1-9(16)6-12-10-4-2-3-5-11(10)13-7-14-8-15(12)13;1-9(2)13-6-10-3-11(7-13)5-12(4-10)8-13;1-8(2)13-11-4-9-3-10(6-11)7-12(13)5-9;1-10(2)12-7-4-11(3,5-8-12)6-9-12;1-9(2)11-6-4-10(3,8-11)5-7-11;1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-4-6-10(3)7-5-9;1-8(2)9-6-4-3-5-7-9;2*1-2;;/h10-12H,4-9H2,1-3H3;2*9-13H,4-8H2,1-3H3;2-5,7-9,12,16H,6H2,1H3;2-5,7-8,12H,6H2,1H3;9-12H,3-8H2,1-2H3;8-13H,3-7H2,1-2H3;10H,4-9H2,1-3H3;9H,4-8H2,1-3H3;8-10H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;2*1-2H3;2*1H4
InChIKeyLHVRRBDNOYOSOE-UHFFFAOYSA-N
XLogP44.30
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms158
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002178.78
LogP ≤ 544.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethane;1-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-ol;1-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-one;methane;1-methyl-3-propan-2-yladamantane;1-methyl-4-propan-2-yladamantane;4-methyl-1-propan-2-yladamantane;1-methyl-4-propan-2-ylbicyclo[2.2.1]heptane;1-methyl-4-propan-2-ylbicyclo[2.2.2]octane;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yladamantane;2-propan-2-yladamantane;propan-2-ylcyclohexane with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-ol;1-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-one;methane;1-methyl-3-propan-2-yladamantane;1-methyl-4-propan-2-yladamantane;4-methyl-1-propan-2-yladamantane;1-methyl-4-propan-2-ylbicyclo[2.2.1]heptane;1-methyl-4-propan-2-ylbicyclo[2.2.2]octane;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yladamantane;2-propan-2-yladamantane;propan-2-ylcyclohexane?
The IUPAC name of ethane;1-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-ol;1-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-one;methane;1-methyl-3-propan-2-yladamantane;1-methyl-4-propan-2-yladamantane;4-methyl-1-propan-2-yladamantane;1-methyl-4-propan-2-ylbicyclo[2.2.1]heptane;1-methyl-4-propan-2-ylbicyclo[2.2.2]octane;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yladamantane;2-propan-2-yladamantane;propan-2-ylcyclohexane (CID 159355317) is ethane;1-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-ol;1-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-one;methane;1-methyl-3-propan-2-yladamantane;1-methyl-4-propan-2-yladamantane;4-methyl-1-propan-2-yladamantane;1-methyl-4-propan-2-ylbicyclo[2.2.1]heptane;1-methyl-4-propan-2-ylbicyclo[2.2.2]octane;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yladamantane;2-propan-2-yladamantane;propan-2-ylcyclohexane.
What is the SMILES notation for ethane;1-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-ol;1-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-one;methane;1-methyl-3-propan-2-yladamantane;1-methyl-4-propan-2-yladamantane;4-methyl-1-propan-2-yladamantane;1-methyl-4-propan-2-ylbicyclo[2.2.1]heptane;1-methyl-4-propan-2-ylbicyclo[2.2.2]octane;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yladamantane;2-propan-2-yladamantane;propan-2-ylcyclohexane?
The canonical SMILES for ethane;1-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-ol;1-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-one;methane;1-methyl-3-propan-2-yladamantane;1-methyl-4-propan-2-yladamantane;4-methyl-1-propan-2-yladamantane;1-methyl-4-propan-2-ylbicyclo[2.2.1]heptane;1-methyl-4-propan-2-ylbicyclo[2.2.2]octane;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yladamantane;2-propan-2-yladamantane;propan-2-ylcyclohexane is C.C.CC.CC.CC(=O)CC1c2ccccc2-c2cncn21.CC(C)C12CC3CC(CC(C)(C3)C1)C2.CC(C)C12CC3CC(CC(C3)C1)C2.CC(C)C12CCC(C)(CC1)C2.CC(C)C12CCC(C)(CC1)CC2.CC(C)C1C2CC3CC(C2)CC1C3.CC(C)C1C2CC3CC1CC(C)(C3)C2.CC(C)C1CCCCC1.CC(C)C1CCN(C)CC1.CC(O)CC1c2ccccc2-c2cncn21.CC1C2CC3CC1CC(C(C)C)(C3)C2.CC1CCC(C(C)C)CC1.
What is the InChIKey of ethane;1-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-ol;1-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-one;methane;1-methyl-3-propan-2-yladamantane;1-methyl-4-propan-2-yladamantane;4-methyl-1-propan-2-yladamantane;1-methyl-4-propan-2-ylbicyclo[2.2.1]heptane;1-methyl-4-propan-2-ylbicyclo[2.2.2]octane;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yladamantane;2-propan-2-yladamantane;propan-2-ylcyclohexane?
The InChIKey is LHVRRBDNOYOSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H24.C13H14N2O.C13H12N2O.2C13H22.C12H22.C11H20.C10H20.C9H19N.C9H18.2C2H6.2CH4/c1-10(2)14-7-11-4-12(8-14)6-13(3,5-11)9-14;1-9(2)13-11-4-10-5-12(13)8-14(3,6-10)7-11;1-9(2)14-6-11-4-12(7-14)10(3)13(5-11)8-14;2*1-9(16)6-12-10-4-2-3-5-11(10)13-7-14-8-15(12)13;1-9(2)13-6-10-3-11(7-13)5-12(4-10)8-13;1-8(2)13-11-4-9-3-10(6-11)7-12(13)5-9;1-10(2)12-7-4-11(3,5-8-12)6-9-12;1-9(2)11-6-4-10(3,8-11)5-7-11;1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-4-6-10(3)7-5-9;1-8(2)9-6-4-3-5-7-9;2*1-2;;/h10-12H,4-9H2,1-3H3;2*9-13H,4-8H2,1-3H3;2-5,7-9,12,16H,6H2,1H3;2-5,7-8,12H,6H2,1H3;9-12H,3-8H2,1-2H3;8-13H,3-7H2,1-2H3;10H,4-9H2,1-3H3;9H,4-8H2,1-3H3;8-10H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;2*1-2H3;2*1H4.
What are the key properties of ethane;1-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-ol;1-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-one;methane;1-methyl-3-propan-2-yladamantane;1-methyl-4-propan-2-yladamantane;4-methyl-1-propan-2-yladamantane;1-methyl-4-propan-2-ylbicyclo[2.2.1]heptane;1-methyl-4-propan-2-ylbicyclo[2.2.2]octane;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yladamantane;2-propan-2-yladamantane;propan-2-ylcyclohexane?
ethane;1-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-ol;1-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-one;methane;1-methyl-3-propan-2-yladamantane;1-methyl-4-propan-2-yladamantane;4-methyl-1-propan-2-yladamantane;1-methyl-4-propan-2-ylbicyclo[2.2.1]heptane;1-methyl-4-propan-2-ylbicyclo[2.2.2]octane;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yladamantane;2-propan-2-yladamantane;propan-2-ylcyclohexane has a molecular weight of 2178.78 g/mol, XLogP of 44.30, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-ol;1-(5H-imidazo[5,1-a]isoindol-5-yl)propan-2-one;methane;1-methyl-3-propan-2-yladamantane;1-methyl-4-propan-2-yladamantane;4-methyl-1-propan-2-yladamantane;1-methyl-4-propan-2-ylbicyclo[2.2.1]heptane;1-methyl-4-propan-2-ylbicyclo[2.2.2]octane;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yladamantane;2-propan-2-yladamantane;propan-2-ylcyclohexane is sourced from PubChem (CID 159355317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).