6-amino-3-methylcyclohexa-1,3-diene-1-carbonitrile

C8H10N2 — CID 137427519

IUPAC6-amino-3-methylcyclohexa-1,3-diene-1-carbonitrile
SMILESCC1=CCC(N)C(C#N)=C1
InChIInChI=1S/C8H10N2/c1-6-2-3-8(10)7(4-6)5-9/h2,4,8H,3,10H2,1H3
InChIKeyOQAQTPDCIXNJJS-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.11
Rot. Bonds

About 6-amino-3-methylcyclohexa-1,3-diene-1-carbonitrile

6-amino-3-methylcyclohexa-1,3-diene-1-carbonitrile (PubChem CID 137427519) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 6-amino-3-methylcyclohexa-1,3-diene-1-carbonitrile.

Molecular Properties

Compound Name6-amino-3-methylcyclohexa-1,3-diene-1-carbonitrile
PubChem CID137427519
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name6-amino-3-methylcyclohexa-1,3-diene-1-carbonitrile
SMILESCC1=CCC(N)C(C#N)=C1
InChIInChI=1S/C8H10N2/c1-6-2-3-8(10)7(4-6)5-9/h2,4,8H,3,10H2,1H3
InChIKeyOQAQTPDCIXNJJS-UHFFFAOYSA-N
XLogP1.11
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2-methylcyclohexa-2,4-dien-1-amine
CID 147363508
(2R)-3,5-dimethyl-2,7-dihydro-1H-azepin-2-amine
CID 126687315
cyclobut-2-ene-1,2-dicarbonitrile
CID 23108350
(6R)-6-amino-4-methyl-5-methylidenecyclohexa-1,3-diene-1,3-dicarbonitrile
CID 163595016
4,5-diethylcyclohexa-1,5-diene-1-carbonitrile
CID 142307277
3-(hydroxymethyl)-6-methylcyclohexa-1,3-diene-1-carbonitrile
CID 163490362
ethane;3-methylcyclohepta-1,3-diene-1-carbonitrile
CID 143896535
4-[tert-butyl(dimethyl)silyl]oxycyclobutene-1-carbonitrile
CID 102012979
6-methyl-2-sulfanyl-3-(sulfanylmethyl)cyclohexa-1,5-diene-1-carbonitrile
CID 166904306
1-chloro-6-fluoro-3-methylcyclohexa-1,3-diene
CID 153147089
4-amino-2-fluoro-5-methoxycyclohexa-1,5-diene-1-carbonitrile
CID 135201487
4-aminocyclohexa-1,5-diene-1-carbonitrile
CID 91284894

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methylcyclohexa-1,3-diene-1-carbonitrile?
The IUPAC name of 6-amino-3-methylcyclohexa-1,3-diene-1-carbonitrile (CID 137427519) is 6-amino-3-methylcyclohexa-1,3-diene-1-carbonitrile.
What is the SMILES notation for 6-amino-3-methylcyclohexa-1,3-diene-1-carbonitrile?
The canonical SMILES for 6-amino-3-methylcyclohexa-1,3-diene-1-carbonitrile is CC1=CCC(N)C(C#N)=C1.
What is the InChIKey of 6-amino-3-methylcyclohexa-1,3-diene-1-carbonitrile?
The InChIKey is OQAQTPDCIXNJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-6-2-3-8(10)7(4-6)5-9/h2,4,8H,3,10H2,1H3.
What are the key properties of 6-amino-3-methylcyclohexa-1,3-diene-1-carbonitrile?
6-amino-3-methylcyclohexa-1,3-diene-1-carbonitrile has a molecular weight of 134.18 g/mol, XLogP of 1.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methylcyclohexa-1,3-diene-1-carbonitrile is sourced from PubChem (CID 137427519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).