1-N,3-N-dimethyl-3-N-(1-methylindol-3-yl)benzene-1,3-diamine

C17H19N3 — CID 117041066

IUPAC1-N,3-N-dimethyl-3-N-(1-methylindol-3-yl)benzene-1,3-diamine
SMILESCNc1cccc(N(C)c2cn(C)c3ccccc23)c1
InChIInChI=1S/C17H19N3/c1-18-13-7-6-8-14(11-13)20(3)17-12-19(2)16-10-5-4-9-15(16)17/h4-12,18H,1-3H3
InChIKeyWOLKXLOHYGYKHD-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.99
Rot. Bonds3

About 1-N,3-N-dimethyl-3-N-(1-methylindol-3-yl)benzene-1,3-diamine

1-N,3-N-dimethyl-3-N-(1-methylindol-3-yl)benzene-1,3-diamine (PubChem CID 117041066) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-N,3-N-dimethyl-3-N-(1-methylindol-3-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-dimethyl-3-N-(1-methylindol-3-yl)benzene-1,3-diamine
PubChem CID117041066
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name1-N,3-N-dimethyl-3-N-(1-methylindol-3-yl)benzene-1,3-diamine
SMILESCNc1cccc(N(C)c2cn(C)c3ccccc23)c1
InChIInChI=1S/C17H19N3/c1-18-13-7-6-8-14(11-13)20(3)17-12-19(2)16-10-5-4-9-15(16)17/h4-12,18H,1-3H3
InChIKeyWOLKXLOHYGYKHD-UHFFFAOYSA-N
XLogP3.99
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]-N,1-dimethylindol-3-amine
CID 117041625
1-methyl-N-[[3-(methylamino)phenyl]methyl]indol-3-amine
CID 115212085
[3-(methylamino)phenyl]-(1-methylindol-3-yl)methanone
CID 116917320
2-N,4-dimethyl-2-N-(1-methylindol-3-yl)benzene-1,2-diamine
CID 115126289
1-methyl-1-(1-methylindol-3-yl)urea
CID 115168227
3-N-(4,6-dimethylpyrimidin-2-yl)-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117044722
1-methyl-N-(1-methylindol-3-yl)-N-(4-methylphenyl)indol-3-amine
CID 155247618
methyl 2-[methyl-(1-methylindol-3-yl)amino]acetate
CID 115232780
3-N-(4-chloro-2-methylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117028957
3-N-(3,4-dimethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117028936
3-amino-1-methyl-1-(1-methylindol-3-yl)urea
CID 115192506
N'-methyl-N'-(1-methylindol-3-yl)-N-propan-2-ylethane-1,2-diamine
CID 115206371

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-dimethyl-3-N-(1-methylindol-3-yl)benzene-1,3-diamine?
The IUPAC name of 1-N,3-N-dimethyl-3-N-(1-methylindol-3-yl)benzene-1,3-diamine (CID 117041066) is 1-N,3-N-dimethyl-3-N-(1-methylindol-3-yl)benzene-1,3-diamine.
What is the SMILES notation for 1-N,3-N-dimethyl-3-N-(1-methylindol-3-yl)benzene-1,3-diamine?
The canonical SMILES for 1-N,3-N-dimethyl-3-N-(1-methylindol-3-yl)benzene-1,3-diamine is CNc1cccc(N(C)c2cn(C)c3ccccc23)c1.
What is the InChIKey of 1-N,3-N-dimethyl-3-N-(1-methylindol-3-yl)benzene-1,3-diamine?
The InChIKey is WOLKXLOHYGYKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-18-13-7-6-8-14(11-13)20(3)17-12-19(2)16-10-5-4-9-15(16)17/h4-12,18H,1-3H3.
What are the key properties of 1-N,3-N-dimethyl-3-N-(1-methylindol-3-yl)benzene-1,3-diamine?
1-N,3-N-dimethyl-3-N-(1-methylindol-3-yl)benzene-1,3-diamine has a molecular weight of 265.36 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-dimethyl-3-N-(1-methylindol-3-yl)benzene-1,3-diamine is sourced from PubChem (CID 117041066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).