1-N,1-N,7-N,7-N-tetramethylindole-1,7-diamine

C12H17N3 — CID 18320572

IUPAC1-N,1-N,7-N,7-N-tetramethylindole-1,7-diamine
SMILESCN(C)c1cccc2ccn(N(C)C)c12
InChIInChI=1S/C12H17N3/c1-13(2)11-7-5-6-10-8-9-15(12(10)11)14(3)4/h5-9H,1-4H3
InChIKeyALBCWUMHZNKZNS-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.90
Rot. Bonds2

About 1-N,1-N,7-N,7-N-tetramethylindole-1,7-diamine

1-N,1-N,7-N,7-N-tetramethylindole-1,7-diamine (PubChem CID 18320572) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-N,1-N,7-N,7-N-tetramethylindole-1,7-diamine.

Molecular Properties

Compound Name1-N,1-N,7-N,7-N-tetramethylindole-1,7-diamine
PubChem CID18320572
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name1-N,1-N,7-N,7-N-tetramethylindole-1,7-diamine
SMILESCN(C)c1cccc2ccn(N(C)C)c12
InChIInChI=1S/C12H17N3/c1-13(2)11-7-5-6-10-8-9-15(12(10)11)14(3)4/h5-9H,1-4H3
InChIKeyALBCWUMHZNKZNS-UHFFFAOYSA-N
XLogP1.90
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-1H-indole-3-ethylamine
CID 23492
Besipirdine
CID 60691
1-Methylindole
CID 11781
1H-Indole, 7-(1-piperazinyl)-
CID 3069502
1-Methyl-1H-indole-3-carbonitrile
CID 2307681
1-Phenyl-1H-indole
CID 182029
(S)-1-(5,6-difluoro-1H-indol-1-yl)propan-2-amine
CID 10330734
1-methyl-N,N-dimethyltryptamine
CID 25927
N,N'-Dimethyltryptamine
CID 37796
2-(1H-indol-1-yl)ethanamine
CID 258690
(R,S)-1-(5-fluoro-1H-indol-1-yl)propan-2-amine
CID 9964324
Ethyl-indol-1-yl-pyridin-4-yl-amine
CID 10561859

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,7-N,7-N-tetramethylindole-1,7-diamine?
The IUPAC name of 1-N,1-N,7-N,7-N-tetramethylindole-1,7-diamine (CID 18320572) is 1-N,1-N,7-N,7-N-tetramethylindole-1,7-diamine.
What is the SMILES notation for 1-N,1-N,7-N,7-N-tetramethylindole-1,7-diamine?
The canonical SMILES for 1-N,1-N,7-N,7-N-tetramethylindole-1,7-diamine is CN(C)c1cccc2ccn(N(C)C)c12.
What is the InChIKey of 1-N,1-N,7-N,7-N-tetramethylindole-1,7-diamine?
The InChIKey is ALBCWUMHZNKZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-13(2)11-7-5-6-10-8-9-15(12(10)11)14(3)4/h5-9H,1-4H3.
What are the key properties of 1-N,1-N,7-N,7-N-tetramethylindole-1,7-diamine?
1-N,1-N,7-N,7-N-tetramethylindole-1,7-diamine has a molecular weight of 203.29 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,7-N,7-N-tetramethylindole-1,7-diamine is sourced from PubChem (CID 18320572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).