1-(5,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine

C12H16N2 — CID 82490831

IUPAC1-(5,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine
SMILESCNCc1c[nH]c2c(C)cc(C)cc12
InChIInChI=1S/C12H16N2/c1-8-4-9(2)12-11(5-8)10(6-13-3)7-14-12/h4-5,7,13-14H,6H2,1-3H3
InChIKeyPPQBMUGXJMPXBT-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.50
Rot. Bonds2

About 1-(5,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine

1-(5,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine (PubChem CID 82490831) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-(5,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine
PubChem CID82490831
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name1-(5,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine
SMILESCNCc1c[nH]c2c(C)cc(C)cc12
InChIInChI=1S/C12H16N2/c1-8-4-9(2)12-11(5-8)10(6-13-3)7-14-12/h4-5,7,13-14H,6H2,1-3H3
InChIKeyPPQBMUGXJMPXBT-UHFFFAOYSA-N
XLogP2.50
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5,7-dimethyl-1H-indol-3-yl)acetonitrile
CID 82490743
N-[2-(5,7-dimethyl-1H-indol-3-yl)ethyl]cyclopropanamine
CID 82494846
3-(5,7-dimethyl-1H-indol-3-yl)-N-propan-2-ylpropan-1-amine
CID 96674980
N-[2-(5,7-dimethyl-1H-indol-3-yl)ethyl]acetamide
CID 167080571
5,7-dimethyl-3-(2-methylpentyl)-1H-indole
CID 106985356
5,7-dimethyl-3-(piperidin-4-ylmethyl)-1H-indole
CID 82497303
N-methyl-1-(3,5,7-trimethyl-1H-indol-2-yl)methanamine
CID 83859630
N-methyl-1-(6-methyl-1H-indol-3-yl)methanamine
CID 68579797
3-iodo-5,7-dimethyl-1H-indole
CID 15247557
2-(5,7-dimethyl-1H-indol-3-yl)-N-methylpropan-2-amine
CID 84622445
4-methyl-5-(methylaminomethyl)-1H-pyridin-2-one
CID 102545713
[3-(methylaminomethyl)-1H-indol-7-yl]methanamine
CID 117181665

Frequently Asked Questions

What is the IUPAC name of 1-(5,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(5,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine (CID 82490831) is 1-(5,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine is CNCc1c[nH]c2c(C)cc(C)cc12.
What is the InChIKey of 1-(5,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine?
The InChIKey is PPQBMUGXJMPXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-8-4-9(2)12-11(5-8)10(6-13-3)7-14-12/h4-5,7,13-14H,6H2,1-3H3.
What are the key properties of 1-(5,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine?
1-(5,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine has a molecular weight of 188.27 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine is sourced from PubChem (CID 82490831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).