2,3-dimethylcyclohexa-1,3-dien-1-amine

C8H13N — CID 89139119

IUPAC2,3-dimethylcyclohexa-1,3-dien-1-amine
SMILESCC1=CCCC(N)=C1C
InChIInChI=1S/C8H13N/c1-6-4-3-5-8(9)7(6)2/h4H,3,5,9H2,1-2H3
InChIKeyKKYRVJUFEVJKEH-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.96
Rot. Bonds

About 2,3-dimethylcyclohexa-1,3-dien-1-amine

2,3-dimethylcyclohexa-1,3-dien-1-amine (PubChem CID 89139119) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2,3-dimethylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name2,3-dimethylcyclohexa-1,3-dien-1-amine
PubChem CID89139119
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2,3-dimethylcyclohexa-1,3-dien-1-amine
SMILESCC1=CCCC(N)=C1C
InChIInChI=1S/C8H13N/c1-6-4-3-5-8(9)7(6)2/h4H,3,5,9H2,1-2H3
InChIKeyKKYRVJUFEVJKEH-UHFFFAOYSA-N
XLogP1.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 2,3-dimethylcyclohexa-1,3-dien-1-amine (CID 89139119) is 2,3-dimethylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 2,3-dimethylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 2,3-dimethylcyclohexa-1,3-dien-1-amine is CC1=CCCC(N)=C1C.
What is the InChIKey of 2,3-dimethylcyclohexa-1,3-dien-1-amine?
The InChIKey is KKYRVJUFEVJKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-6-4-3-5-8(9)7(6)2/h4H,3,5,9H2,1-2H3.
What are the key properties of 2,3-dimethylcyclohexa-1,3-dien-1-amine?
2,3-dimethylcyclohexa-1,3-dien-1-amine has a molecular weight of 123.20 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 89139119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).