N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)-3,4-dihydro-2H-chromen-8-amine;N,7-di(propan-2-yl)quinoxalin-5-amine;5-(2-methylpropyl)-7-propan-2-ylquinazoline

C86H121N9O3S2 — CID 162098220

IUPACN,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)-3,4-dihydro-2H-chromen-8-amine;N,7-di(propan-2-yl)quinoxalin-5-amine;5-(2-methylpropyl)-7-propan-2-ylquinazoline
SMILESCC(C)Cc1cc(C(C)C)cc2ncncc12.CC(C)Nc1cc(C(C)C)cc2c1OCCC2.CC(C)Nc1cc(C(C)C)cc2c1OCCO2.CC(C)Nc1cc(C(C)C)cc2ccsc12.CC(C)Nc1cc(C(C)C)cc2nccnc12.CC(C)Nc1cc(C(C)C)cc2sccc12
InChIInChI=1S/C15H20N2.C15H23NO.C14H19N3.C14H21NO2.2C14H19NS/c1-10(2)5-13-6-12(11(3)4)7-15-14(13)8-16-9-17-15;1-10(2)13-8-12-6-5-7-17-15(12)14(9-13)16-11(3)4;1-9(2)11-7-12-14(16-6-5-15-12)13(8-11)17-10(3)4;1-9(2)11-7-12(15-10(3)4)14-13(8-11)16-5-6-17-14;1-9(2)11-7-13(15-10(3)4)12-5-6-16-14(12)8-11;1-9(2)12-7-11-5-6-16-14(11)13(8-12)15-10(3)4/h6-11H,5H2,1-4H3;8-11,16H,5-7H2,1-4H3;5-10,17H,1-4H3;7-10,15H,5-6H2,1-4H3;2*5-10,15H,1-4H3
InChIKeyZENNNEDELUFJAA-UHFFFAOYSA-N
MW1393.11 g/mol
LogP24.57
Rot. Bonds18

About N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)-3,4-dihydro-2H-chromen-8-amine;N,7-di(propan-2-yl)quinoxalin-5-amine;5-(2-methylpropyl)-7-propan-2-ylquinazoline

N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)-3,4-dihydro-2H-chromen-8-amine;N,7-di(propan-2-yl)quinoxalin-5-amine;5-(2-methylpropyl)-7-propan-2-ylquinazoline (PubChem CID 162098220) has the molecular formula C86H121N9O3S2 and a molecular weight of 1393.11 g/mol. Its IUPAC name is N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)-3,4-dihydro-2H-chromen-8-amine;N,7-di(propan-2-yl)quinoxalin-5-amine;5-(2-methylpropyl)-7-propan-2-ylquinazoline.

Molecular Properties

Compound NameN,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)-3,4-dihydro-2H-chromen-8-amine;N,7-di(propan-2-yl)quinoxalin-5-amine;5-(2-methylpropyl)-7-propan-2-ylquinazoline
PubChem CID162098220
Molecular FormulaC86H121N9O3S2
Molecular Weight1393.11 g/mol
Exact Mass1391.90
IUPAC NameN,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)-3,4-dihydro-2H-chromen-8-amine;N,7-di(propan-2-yl)quinoxalin-5-amine;5-(2-methylpropyl)-7-propan-2-ylquinazoline
SMILESCC(C)Cc1cc(C(C)C)cc2ncncc12.CC(C)Nc1cc(C(C)C)cc2c1OCCC2.CC(C)Nc1cc(C(C)C)cc2c1OCCO2.CC(C)Nc1cc(C(C)C)cc2ccsc12.CC(C)Nc1cc(C(C)C)cc2nccnc12.CC(C)Nc1cc(C(C)C)cc2sccc12
InChIInChI=1S/C15H20N2.C15H23NO.C14H19N3.C14H21NO2.2C14H19NS/c1-10(2)5-13-6-12(11(3)4)7-15-14(13)8-16-9-17-15;1-10(2)13-8-12-6-5-7-17-15(12)14(9-13)16-11(3)4;1-9(2)11-7-12-14(16-6-5-15-12)13(8-11)17-10(3)4;1-9(2)11-7-12(15-10(3)4)14-13(8-11)16-5-6-17-14;1-9(2)11-7-13(15-10(3)4)12-5-6-16-14(12)8-11;1-9(2)12-7-11-5-6-16-14(11)13(8-12)15-10(3)4/h6-11H,5H2,1-4H3;8-11,16H,5-7H2,1-4H3;5-10,17H,1-4H3;7-10,15H,5-6H2,1-4H3;2*5-10,15H,1-4H3
InChIKeyZENNNEDELUFJAA-UHFFFAOYSA-N
XLogP24.57
TPSA139.40 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001393.11
LogP ≤ 524.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)-3,4-dihydro-2H-chromen-8-amine;N,7-di(propan-2-yl)quinoxalin-5-amine;5-(2-methylpropyl)-7-propan-2-ylquinazoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)-3,4-dihydro-2H-chromen-8-amine;N,7-di(propan-2-yl)quinoxalin-5-amine;5-(2-methylpropyl)-7-propan-2-ylquinazoline?
The IUPAC name of N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)-3,4-dihydro-2H-chromen-8-amine;N,7-di(propan-2-yl)quinoxalin-5-amine;5-(2-methylpropyl)-7-propan-2-ylquinazoline (CID 162098220) is N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)-3,4-dihydro-2H-chromen-8-amine;N,7-di(propan-2-yl)quinoxalin-5-amine;5-(2-methylpropyl)-7-propan-2-ylquinazoline.
What is the SMILES notation for N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)-3,4-dihydro-2H-chromen-8-amine;N,7-di(propan-2-yl)quinoxalin-5-amine;5-(2-methylpropyl)-7-propan-2-ylquinazoline?
The canonical SMILES for N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)-3,4-dihydro-2H-chromen-8-amine;N,7-di(propan-2-yl)quinoxalin-5-amine;5-(2-methylpropyl)-7-propan-2-ylquinazoline is CC(C)Cc1cc(C(C)C)cc2ncncc12.CC(C)Nc1cc(C(C)C)cc2c1OCCC2.CC(C)Nc1cc(C(C)C)cc2c1OCCO2.CC(C)Nc1cc(C(C)C)cc2ccsc12.CC(C)Nc1cc(C(C)C)cc2nccnc12.CC(C)Nc1cc(C(C)C)cc2sccc12.
What is the InChIKey of N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)-3,4-dihydro-2H-chromen-8-amine;N,7-di(propan-2-yl)quinoxalin-5-amine;5-(2-methylpropyl)-7-propan-2-ylquinazoline?
The InChIKey is ZENNNEDELUFJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2.C15H23NO.C14H19N3.C14H21NO2.2C14H19NS/c1-10(2)5-13-6-12(11(3)4)7-15-14(13)8-16-9-17-15;1-10(2)13-8-12-6-5-7-17-15(12)14(9-13)16-11(3)4;1-9(2)11-7-12-14(16-6-5-15-12)13(8-11)17-10(3)4;1-9(2)11-7-12(15-10(3)4)14-13(8-11)16-5-6-17-14;1-9(2)11-7-13(15-10(3)4)12-5-6-16-14(12)8-11;1-9(2)12-7-11-5-6-16-14(11)13(8-12)15-10(3)4/h6-11H,5H2,1-4H3;8-11,16H,5-7H2,1-4H3;5-10,17H,1-4H3;7-10,15H,5-6H2,1-4H3;2*5-10,15H,1-4H3.
What are the key properties of N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)-3,4-dihydro-2H-chromen-8-amine;N,7-di(propan-2-yl)quinoxalin-5-amine;5-(2-methylpropyl)-7-propan-2-ylquinazoline?
N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)-3,4-dihydro-2H-chromen-8-amine;N,7-di(propan-2-yl)quinoxalin-5-amine;5-(2-methylpropyl)-7-propan-2-ylquinazoline has a molecular weight of 1393.11 g/mol, XLogP of 24.57, 18 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)-3,4-dihydro-2H-chromen-8-amine;N,7-di(propan-2-yl)quinoxalin-5-amine;5-(2-methylpropyl)-7-propan-2-ylquinazoline is sourced from PubChem (CID 162098220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).