2-amino-5,6-dimethylcyclohepta-2,4-diene-1-carbonitrile

C10H14N2 — CID 137427603

IUPAC2-amino-5,6-dimethylcyclohepta-2,4-diene-1-carbonitrile
SMILESCC1=CC=C(N)C(C#N)CC1C
InChIInChI=1S/C10H14N2/c1-7-3-4-10(12)9(6-11)5-8(7)2/h3-4,8-9H,5,12H2,1-2H3
InChIKeyRAVVIFIWHXGVBB-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.95
Rot. Bonds

About 2-amino-5,6-dimethylcyclohepta-2,4-diene-1-carbonitrile

2-amino-5,6-dimethylcyclohepta-2,4-diene-1-carbonitrile (PubChem CID 137427603) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2-amino-5,6-dimethylcyclohepta-2,4-diene-1-carbonitrile.

Molecular Properties

Compound Name2-amino-5,6-dimethylcyclohepta-2,4-diene-1-carbonitrile
PubChem CID137427603
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2-amino-5,6-dimethylcyclohepta-2,4-diene-1-carbonitrile
SMILESCC1=CC=C(N)C(C#N)CC1C
InChIInChI=1S/C10H14N2/c1-7-3-4-10(12)9(6-11)5-8(7)2/h3-4,8-9H,5,12H2,1-2H3
InChIKeyRAVVIFIWHXGVBB-UHFFFAOYSA-N
XLogP1.95
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5,6-dimethylcyclohepta-2,4-diene-1-carbonitrile?
The IUPAC name of 2-amino-5,6-dimethylcyclohepta-2,4-diene-1-carbonitrile (CID 137427603) is 2-amino-5,6-dimethylcyclohepta-2,4-diene-1-carbonitrile.
What is the SMILES notation for 2-amino-5,6-dimethylcyclohepta-2,4-diene-1-carbonitrile?
The canonical SMILES for 2-amino-5,6-dimethylcyclohepta-2,4-diene-1-carbonitrile is CC1=CC=C(N)C(C#N)CC1C.
What is the InChIKey of 2-amino-5,6-dimethylcyclohepta-2,4-diene-1-carbonitrile?
The InChIKey is RAVVIFIWHXGVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-7-3-4-10(12)9(6-11)5-8(7)2/h3-4,8-9H,5,12H2,1-2H3.
What are the key properties of 2-amino-5,6-dimethylcyclohepta-2,4-diene-1-carbonitrile?
2-amino-5,6-dimethylcyclohepta-2,4-diene-1-carbonitrile has a molecular weight of 162.24 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,6-dimethylcyclohepta-2,4-diene-1-carbonitrile is sourced from PubChem (CID 137427603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).