3,6-bis(aminomethyl)benzene-1,2-dicarbonitrile

C10H10N4 — CID 70206262

IUPAC3,6-bis(aminomethyl)benzene-1,2-dicarbonitrile
SMILESN#Cc1c(CN)ccc(CN)c1C#N
InChIInChI=1S/C10H10N4/c11-3-7-1-2-8(4-12)10(6-14)9(7)5-13/h1-2H,3-4,11-12H2
InChIKeyYTQDXROAWLOETR-UHFFFAOYSA-N
MW186.22 g/mol
LogP0.35
Rot. Bonds2

About 3,6-bis(aminomethyl)benzene-1,2-dicarbonitrile

3,6-bis(aminomethyl)benzene-1,2-dicarbonitrile (PubChem CID 70206262) has the molecular formula C10H10N4 and a molecular weight of 186.22 g/mol. Its IUPAC name is 3,6-bis(aminomethyl)benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name3,6-bis(aminomethyl)benzene-1,2-dicarbonitrile
PubChem CID70206262
Molecular FormulaC10H10N4
Molecular Weight186.22 g/mol
Exact Mass186.09
IUPAC Name3,6-bis(aminomethyl)benzene-1,2-dicarbonitrile
SMILESN#Cc1c(CN)ccc(CN)c1C#N
InChIInChI=1S/C10H10N4/c11-3-7-1-2-8(4-12)10(6-14)9(7)5-13/h1-2H,3-4,11-12H2
InChIKeyYTQDXROAWLOETR-UHFFFAOYSA-N
XLogP0.35
TPSA99.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-3-cyano-2-hydroxybenzoic acid
CID 118851425
3-(aminomethyl)-2-methyl-6-sulfanylbenzonitrile
CID 174376171
2-(aminomethyl)-6-(trifluoromethyl)benzonitrile
CID 86617537
methyl 2-[4-(aminomethyl)-3-cyano-2-methylphenyl]acetate
CID 134635184
3-(aminomethyl)-2-cyano-6-(difluoromethyl)benzoic acid
CID 134651869
ethyl 2-[3-(aminomethyl)-2-cyano-6-sulfanylphenyl]acetate
CID 134652268
3-(aminomethyl)-6-(dimethylamino)-2-fluorobenzonitrile
CID 141161263
methyl 2-[4-(aminomethyl)-3-cyano-2-methoxyphenyl]acetate
CID 134640541
4-(aminomethyl)-3-cyano-2-(trifluoromethyl)benzenesulfonyl chloride
CID 118806215
methyl 2-[3-(aminomethyl)-6-chloro-2-cyanophenyl]acetate
CID 134658169
4-(aminomethyl)-3-cyano-2-nitrobenzenesulfonyl chloride
CID 118828721
1-(aminomethyl)-2-cyano-3-(sulfamoylamino)benzene
CID 151507260

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(aminomethyl)benzene-1,2-dicarbonitrile?
The IUPAC name of 3,6-bis(aminomethyl)benzene-1,2-dicarbonitrile (CID 70206262) is 3,6-bis(aminomethyl)benzene-1,2-dicarbonitrile.
What is the SMILES notation for 3,6-bis(aminomethyl)benzene-1,2-dicarbonitrile?
The canonical SMILES for 3,6-bis(aminomethyl)benzene-1,2-dicarbonitrile is N#Cc1c(CN)ccc(CN)c1C#N.
What is the InChIKey of 3,6-bis(aminomethyl)benzene-1,2-dicarbonitrile?
The InChIKey is YTQDXROAWLOETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4/c11-3-7-1-2-8(4-12)10(6-14)9(7)5-13/h1-2H,3-4,11-12H2.
What are the key properties of 3,6-bis(aminomethyl)benzene-1,2-dicarbonitrile?
3,6-bis(aminomethyl)benzene-1,2-dicarbonitrile has a molecular weight of 186.22 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(aminomethyl)benzene-1,2-dicarbonitrile is sourced from PubChem (CID 70206262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).