1-(1,3-dimethylindol-4-yl)-N-methylmethanamine

C12H16N2 — CID 117204432

IUPAC1-(1,3-dimethylindol-4-yl)-N-methylmethanamine
SMILESCNCc1cccc2c1c(C)cn2C
InChIInChI=1S/C12H16N2/c1-9-8-14(3)11-6-4-5-10(7-13-2)12(9)11/h4-6,8,13H,7H2,1-3H3
InChIKeyHCNJBLBGYHVEKN-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.21
Rot. Bonds2

About 1-(1,3-dimethylindol-4-yl)-N-methylmethanamine

1-(1,3-dimethylindol-4-yl)-N-methylmethanamine (PubChem CID 117204432) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-(1,3-dimethylindol-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1,3-dimethylindol-4-yl)-N-methylmethanamine
PubChem CID117204432
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name1-(1,3-dimethylindol-4-yl)-N-methylmethanamine
SMILESCNCc1cccc2c1c(C)cn2C
InChIInChI=1S/C12H16N2/c1-9-8-14(3)11-6-4-5-10(7-13-2)12(9)11/h4-6,8,13H,7H2,1-3H3
InChIKeyHCNJBLBGYHVEKN-UHFFFAOYSA-N
XLogP2.21
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,3-dimethylindol-4-yl)-N-methylethanamine
CID 117204456
1-(1,3-dimethylindol-4-yl)-2-methylpropan-2-ol
CID 117204407
2-(1,4-dimethylindol-3-yl)acetaldehyde
CID 117194756
2-(1,3-dimethylindol-4-yl)propan-2-ol
CID 15852030
1,4-dimethylindol-3-amine
CID 89174209
1-(2-iodo-3-methylphenyl)-N-methylmethanamine
CID 15288422
1,3-dimethyl-4-piperidin-1-ylindole
CID 126583344
(3-ethyl-1-methylindol-4-yl)methanamine
CID 115017614
N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine
CID 115226846
1-[2-(2,3-dimethylphenyl)phenyl]-N-methylmethanamine
CID 62549368
1-methyl-3-[(propan-2-ylamino)methyl]indol-4-amine
CID 117171487
N-methyl-1-[3-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine
CID 102999924

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylindol-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(1,3-dimethylindol-4-yl)-N-methylmethanamine (CID 117204432) is 1-(1,3-dimethylindol-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1,3-dimethylindol-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1,3-dimethylindol-4-yl)-N-methylmethanamine is CNCc1cccc2c1c(C)cn2C.
What is the InChIKey of 1-(1,3-dimethylindol-4-yl)-N-methylmethanamine?
The InChIKey is HCNJBLBGYHVEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-9-8-14(3)11-6-4-5-10(7-13-2)12(9)11/h4-6,8,13H,7H2,1-3H3.
What are the key properties of 1-(1,3-dimethylindol-4-yl)-N-methylmethanamine?
1-(1,3-dimethylindol-4-yl)-N-methylmethanamine has a molecular weight of 188.27 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylindol-4-yl)-N-methylmethanamine is sourced from PubChem (CID 117204432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).