3-(aminomethyl)-1,2-dimethylindole-6-carbonitrile

C12H13N3 — CID 105452207

IUPAC3-(aminomethyl)-1,2-dimethylindole-6-carbonitrile
SMILESCc1c(CN)c2ccc(C#N)cc2n1C
InChIInChI=1S/C12H13N3/c1-8-11(7-14)10-4-3-9(6-13)5-12(10)15(8)2/h3-5H,7,14H2,1-2H3
InChIKeyPYYHHWWANCSSDJ-UHFFFAOYSA-N
MW199.26 g/mol
LogP1.82
Rot. Bonds1

About 3-(aminomethyl)-1,2-dimethylindole-6-carbonitrile

3-(aminomethyl)-1,2-dimethylindole-6-carbonitrile (PubChem CID 105452207) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 3-(aminomethyl)-1,2-dimethylindole-6-carbonitrile.

Molecular Properties

Compound Name3-(aminomethyl)-1,2-dimethylindole-6-carbonitrile
PubChem CID105452207
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name3-(aminomethyl)-1,2-dimethylindole-6-carbonitrile
SMILESCc1c(CN)c2ccc(C#N)cc2n1C
InChIInChI=1S/C12H13N3/c1-8-11(7-14)10-4-3-9(6-13)5-12(10)15(8)2/h3-5H,7,14H2,1-2H3
InChIKeyPYYHHWWANCSSDJ-UHFFFAOYSA-N
XLogP1.82
TPSA54.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(6-chloro-1,2-dimethylindol-3-yl)methanamine
CID 82492537
7-methoxy-9-methylcarbazole-2-carbonitrile
CID 10847401
2-formyl-1,3-dimethylindole-6-carbonitrile
CID 105451422
1,3-dimethyl-2-[(Z)-prop-1-enyl]indole-6-carbonitrile
CID 146280531
3-(1,2,6-trimethylindol-3-yl)propan-1-amine
CID 82493187
6-methyl-9-phenylcarbazole-2-carbonitrile
CID 129176191
3-(6-methoxy-1,2-dimethylindol-3-yl)propan-1-amine
CID 82495889
6-amino-9-phenylcarbazole-2-carbonitrile
CID 147955073
2-(1,2,6-trimethylindol-3-yl)acetic acid
CID 82493301
[1,2-dimethyl-5-(trifluoromethoxy)indol-3-yl]methanamine
CID 125479327
3-(2-aminoethyl)-1-ethylindole-6-carbonitrile
CID 105466888
4-(1,2,6-trimethylindol-3-yl)butan-2-amine
CID 82495296

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1,2-dimethylindole-6-carbonitrile?
The IUPAC name of 3-(aminomethyl)-1,2-dimethylindole-6-carbonitrile (CID 105452207) is 3-(aminomethyl)-1,2-dimethylindole-6-carbonitrile.
What is the SMILES notation for 3-(aminomethyl)-1,2-dimethylindole-6-carbonitrile?
The canonical SMILES for 3-(aminomethyl)-1,2-dimethylindole-6-carbonitrile is Cc1c(CN)c2ccc(C#N)cc2n1C.
What is the InChIKey of 3-(aminomethyl)-1,2-dimethylindole-6-carbonitrile?
The InChIKey is PYYHHWWANCSSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-8-11(7-14)10-4-3-9(6-13)5-12(10)15(8)2/h3-5H,7,14H2,1-2H3.
What are the key properties of 3-(aminomethyl)-1,2-dimethylindole-6-carbonitrile?
3-(aminomethyl)-1,2-dimethylindole-6-carbonitrile has a molecular weight of 199.26 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1,2-dimethylindole-6-carbonitrile is sourced from PubChem (CID 105452207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).