1H-indole;methanamine;methanol;5-methoxy-1H-indole;6-methoxy-1H-indole;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;bis(5-methoxy-3-methyl-1H-indole);3-methyl-1H-indole

C70H81N9O7 — CID 159494399

IUPAC1H-indole;methanamine;methanol;5-methoxy-1H-indole;6-methoxy-1H-indole;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;bis(5-methoxy-3-methyl-1H-indole);3-methyl-1H-indole
SMILESCN.CO.COc1ccc2[nH]cc(C)c2c1.COc1ccc2[nH]cc(C)c2c1.COc1ccc2[nH]cc(CCNC(C)=O)c2c1.COc1ccc2[nH]ccc2c1.COc1ccc2cc[nH]c2c1.Cc1c[nH]c2ccccc12.c1ccc2[nH]ccc2c1
InChIInChI=1S/C13H16N2O2.2C10H11NO.2C9H9NO.C9H9N.C8H7N.CH5N.CH4O/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13;2*1-7-6-11-10-4-3-8(12-2)5-9(7)10;1-11-8-2-3-9-7(6-8)4-5-10-9;1-11-8-3-2-7-4-5-10-9(7)6-8;1-7-6-10-9-5-3-2-4-8(7)9;1-2-4-8-7(3-1)5-6-9-8;2*1-2/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16);2*3-6,11H,1-2H3;2*2-6,10H,1H3;2-6,10H,1H3;1-6,9H;2H2,1H3;2H,1H3
InChIKeyLYPFSHQXZXRLNK-UHFFFAOYSA-N
MW1160.47 g/mol
LogP15.01
Rot. Bonds8

About 1H-indole;methanamine;methanol;5-methoxy-1H-indole;6-methoxy-1H-indole;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;bis(5-methoxy-3-methyl-1H-indole);3-methyl-1H-indole

1H-indole;methanamine;methanol;5-methoxy-1H-indole;6-methoxy-1H-indole;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;bis(5-methoxy-3-methyl-1H-indole);3-methyl-1H-indole (PubChem CID 159494399) has the molecular formula C70H81N9O7 and a molecular weight of 1160.47 g/mol. Its IUPAC name is 1H-indole;methanamine;methanol;5-methoxy-1H-indole;6-methoxy-1H-indole;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;bis(5-methoxy-3-methyl-1H-indole);3-methyl-1H-indole.

Molecular Properties

Compound Name1H-indole;methanamine;methanol;5-methoxy-1H-indole;6-methoxy-1H-indole;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;bis(5-methoxy-3-methyl-1H-indole);3-methyl-1H-indole
PubChem CID159494399
Molecular FormulaC70H81N9O7
Molecular Weight1160.47 g/mol
Exact Mass1159.63
IUPAC Name1H-indole;methanamine;methanol;5-methoxy-1H-indole;6-methoxy-1H-indole;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;bis(5-methoxy-3-methyl-1H-indole);3-methyl-1H-indole
SMILESCN.CO.COc1ccc2[nH]cc(C)c2c1.COc1ccc2[nH]cc(C)c2c1.COc1ccc2[nH]cc(CCNC(C)=O)c2c1.COc1ccc2[nH]ccc2c1.COc1ccc2cc[nH]c2c1.Cc1c[nH]c2ccccc12.c1ccc2[nH]ccc2c1
InChIInChI=1S/C13H16N2O2.2C10H11NO.2C9H9NO.C9H9N.C8H7N.CH5N.CH4O/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13;2*1-7-6-11-10-4-3-8(12-2)5-9(7)10;1-11-8-2-3-9-7(6-8)4-5-10-9;1-11-8-3-2-7-4-5-10-9(7)6-8;1-7-6-10-9-5-3-2-4-8(7)9;1-2-4-8-7(3-1)5-6-9-8;2*1-2/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16);2*3-6,11H,1-2H3;2*2-6,10H,1H3;2-6,10H,1H3;1-6,9H;2H2,1H3;2H,1H3
InChIKeyLYPFSHQXZXRLNK-UHFFFAOYSA-N
XLogP15.01
TPSA232.03 Ų
H-Bond Donors10
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001160.47
LogP ≤ 515.01
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 108

Analyze 1H-indole;methanamine;methanol;5-methoxy-1H-indole;6-methoxy-1H-indole;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;bis(5-methoxy-3-methyl-1H-indole);3-methyl-1H-indole with MolForge

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Launch Full Analysis

Related Compounds

N1,N10-bis(2-(5-methoxy-1H-indol-3-yl)ethyl)decanediamide
CID 44424026
N1,N7-bis(2-(5-methoxy-1H-indol-3-yl)ethyl)heptanediamide
CID 44424025
N-[2-[2-(indol-1-ylmethyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide
CID 90666303
1H-Indole, 5-methoxy-3-(1,2,3,6-tetrahydro-1-propyl-4-pyridinyl)-, (E)-2-butenedioate (2:1)
CID 6447200
5-methoxy-3-[(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methyl]-1H-indole
CID 11750269
3-[[4-[bis(5-methoxy-1H-indol-3-yl)methyl]phenyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole
CID 57326788
3-[[4-[bis(6-hydroxy-1H-indol-3-yl)methyl]phenyl]-(6-hydroxy-1H-indol-3-yl)methyl]-1H-indol-6-ol
CID 57326887
3-[[5-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole
CID 127035273
3-[[6-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole
CID 127035571
3-[[6-[bis(5-phenylmethoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-phenylmethoxy-1H-indol-3-yl)methyl]-5-phenylmethoxy-1H-indole
CID 127035684
3-[1H-indol-3-yl-(5-methoxy-1H-indol-3-yl)methyl]-1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole
CID 145958676
3-[1-[4-[(E)-3,3-bis(5-hydroxy-1H-indol-3-yl)prop-1-enyl]phenyl]-3,3-bis(5-hydroxy-1H-indol-3-yl)propyl]-1H-indol-5-ol
CID 155543721

Frequently Asked Questions

What is the IUPAC name of 1H-indole;methanamine;methanol;5-methoxy-1H-indole;6-methoxy-1H-indole;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;bis(5-methoxy-3-methyl-1H-indole);3-methyl-1H-indole?
The IUPAC name of 1H-indole;methanamine;methanol;5-methoxy-1H-indole;6-methoxy-1H-indole;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;bis(5-methoxy-3-methyl-1H-indole);3-methyl-1H-indole (CID 159494399) is 1H-indole;methanamine;methanol;5-methoxy-1H-indole;6-methoxy-1H-indole;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;bis(5-methoxy-3-methyl-1H-indole);3-methyl-1H-indole.
What is the SMILES notation for 1H-indole;methanamine;methanol;5-methoxy-1H-indole;6-methoxy-1H-indole;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;bis(5-methoxy-3-methyl-1H-indole);3-methyl-1H-indole?
The canonical SMILES for 1H-indole;methanamine;methanol;5-methoxy-1H-indole;6-methoxy-1H-indole;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;bis(5-methoxy-3-methyl-1H-indole);3-methyl-1H-indole is CN.CO.COc1ccc2[nH]cc(C)c2c1.COc1ccc2[nH]cc(C)c2c1.COc1ccc2[nH]cc(CCNC(C)=O)c2c1.COc1ccc2[nH]ccc2c1.COc1ccc2cc[nH]c2c1.Cc1c[nH]c2ccccc12.c1ccc2[nH]ccc2c1.
What is the InChIKey of 1H-indole;methanamine;methanol;5-methoxy-1H-indole;6-methoxy-1H-indole;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;bis(5-methoxy-3-methyl-1H-indole);3-methyl-1H-indole?
The InChIKey is LYPFSHQXZXRLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2.2C10H11NO.2C9H9NO.C9H9N.C8H7N.CH5N.CH4O/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13;2*1-7-6-11-10-4-3-8(12-2)5-9(7)10;1-11-8-2-3-9-7(6-8)4-5-10-9;1-11-8-3-2-7-4-5-10-9(7)6-8;1-7-6-10-9-5-3-2-4-8(7)9;1-2-4-8-7(3-1)5-6-9-8;2*1-2/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16);2*3-6,11H,1-2H3;2*2-6,10H,1H3;2-6,10H,1H3;1-6,9H;2H2,1H3;2H,1H3.
What are the key properties of 1H-indole;methanamine;methanol;5-methoxy-1H-indole;6-methoxy-1H-indole;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;bis(5-methoxy-3-methyl-1H-indole);3-methyl-1H-indole?
1H-indole;methanamine;methanol;5-methoxy-1H-indole;6-methoxy-1H-indole;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;bis(5-methoxy-3-methyl-1H-indole);3-methyl-1H-indole has a molecular weight of 1160.47 g/mol, XLogP of 15.01, 8 rotatable bonds, 10 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indole;methanamine;methanol;5-methoxy-1H-indole;6-methoxy-1H-indole;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;bis(5-methoxy-3-methyl-1H-indole);3-methyl-1H-indole is sourced from PubChem (CID 159494399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).