2,5-dimethylcyclohexa-2,4-dien-1-amine

C8H13N — CID 18972263

IUPAC2,5-dimethylcyclohexa-2,4-dien-1-amine
SMILESCC1=CC=C(C)C(N)C1
InChIInChI=1S/C8H13N/c1-6-3-4-7(2)8(9)5-6/h3-4,8H,5,9H2,1-2H3
InChIKeyMPOQECXUKHDUOE-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.61
Rot. Bonds

About 2,5-dimethylcyclohexa-2,4-dien-1-amine

2,5-dimethylcyclohexa-2,4-dien-1-amine (PubChem CID 18972263) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2,5-dimethylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name2,5-dimethylcyclohexa-2,4-dien-1-amine
PubChem CID18972263
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2,5-dimethylcyclohexa-2,4-dien-1-amine
SMILESCC1=CC=C(C)C(N)C1
InChIInChI=1S/C8H13N/c1-6-3-4-7(2)8(9)5-6/h3-4,8H,5,9H2,1-2H3
InChIKeyMPOQECXUKHDUOE-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 2,5-dimethylcyclohexa-2,4-dien-1-amine (CID 18972263) is 2,5-dimethylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 2,5-dimethylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 2,5-dimethylcyclohexa-2,4-dien-1-amine is CC1=CC=C(C)C(N)C1.
What is the InChIKey of 2,5-dimethylcyclohexa-2,4-dien-1-amine?
The InChIKey is MPOQECXUKHDUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-6-3-4-7(2)8(9)5-6/h3-4,8H,5,9H2,1-2H3.
What are the key properties of 2,5-dimethylcyclohexa-2,4-dien-1-amine?
2,5-dimethylcyclohexa-2,4-dien-1-amine has a molecular weight of 123.20 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 18972263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).