4,6-dimethylcyclohexa-1,3-dien-1-amine

C8H13N — CID 89187860

IUPAC4,6-dimethylcyclohexa-1,3-dien-1-amine
SMILESCC1=CC=C(N)C(C)C1
InChIInChI=1S/C8H13N/c1-6-3-4-8(9)7(2)5-6/h3-4,7H,5,9H2,1-2H3
InChIKeyIJJNSDKJXKYZDH-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.82
Rot. Bonds

About 4,6-dimethylcyclohexa-1,3-dien-1-amine

4,6-dimethylcyclohexa-1,3-dien-1-amine (PubChem CID 89187860) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 4,6-dimethylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4,6-dimethylcyclohexa-1,3-dien-1-amine
PubChem CID89187860
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name4,6-dimethylcyclohexa-1,3-dien-1-amine
SMILESCC1=CC=C(N)C(C)C1
InChIInChI=1S/C8H13N/c1-6-3-4-8(9)7(2)5-6/h3-4,7H,5,9H2,1-2H3
InChIKeyIJJNSDKJXKYZDH-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 4,6-dimethylcyclohexa-1,3-dien-1-amine (CID 89187860) is 4,6-dimethylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4,6-dimethylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4,6-dimethylcyclohexa-1,3-dien-1-amine is CC1=CC=C(N)C(C)C1.
What is the InChIKey of 4,6-dimethylcyclohexa-1,3-dien-1-amine?
The InChIKey is IJJNSDKJXKYZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-6-3-4-8(9)7(2)5-6/h3-4,7H,5,9H2,1-2H3.
What are the key properties of 4,6-dimethylcyclohexa-1,3-dien-1-amine?
4,6-dimethylcyclohexa-1,3-dien-1-amine has a molecular weight of 123.20 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 89187860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).