5,6-dimethylcyclohexa-1,5-dien-1-amine

C8H13N — CID 143080216

IUPAC5,6-dimethylcyclohexa-1,5-dien-1-amine
SMILESCC1=C(C)C(N)=CCC1
InChIInChI=1S/C8H13N/c1-6-4-3-5-8(9)7(6)2/h5H,3-4,9H2,1-2H3
InChIKeyFGGLGZGKKKZYQR-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.96
Rot. Bonds

About 5,6-dimethylcyclohexa-1,5-dien-1-amine

5,6-dimethylcyclohexa-1,5-dien-1-amine (PubChem CID 143080216) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 5,6-dimethylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name5,6-dimethylcyclohexa-1,5-dien-1-amine
PubChem CID143080216
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name5,6-dimethylcyclohexa-1,5-dien-1-amine
SMILESCC1=C(C)C(N)=CCC1
InChIInChI=1S/C8H13N/c1-6-4-3-5-8(9)7(6)2/h5H,3-4,9H2,1-2H3
InChIKeyFGGLGZGKKKZYQR-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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Related Compounds

cyclohexa-2,6-diene-1,2-diamine;ethane
CID 143733519
ethane;3-ethenyl-1,2-dimethylcyclohexa-1,3-diene
CID 143703255
ethane;1-methylcyclobutene
CID 91484029
1-methylcyclobutene;sulfane
CID 90109296
2,6-dimethylcyclohexa-1,5-dien-1-ol
CID 14982407
ethane;5-methylcyclohexa-1,5-dien-1-amine
CID 144692983
(1E,5E)-1,5,9-trimethylcyclododeca-1,5,9-triene
CID 139597866
1-(6-amino-2-methylcyclohexa-1,5-dien-1-yl)-3-(2-amino-6-methylphenyl)propane-1,3-dione
CID 143277863
(2Z,6E)-2-methyl-4,5-dihydroazocin-7-amine
CID 177054530
methanethiol;1-methyl-2,3-dihydronaphthalene
CID 143782367
3-chloro-1-methyl-2-propan-2-ylcyclohexa-1,3-diene
CID 153352774
5-methyl-3,4,6,7-tetrahydroquinoline
CID 143900748

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 5,6-dimethylcyclohexa-1,5-dien-1-amine (CID 143080216) is 5,6-dimethylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 5,6-dimethylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 5,6-dimethylcyclohexa-1,5-dien-1-amine is CC1=C(C)C(N)=CCC1.
What is the InChIKey of 5,6-dimethylcyclohexa-1,5-dien-1-amine?
The InChIKey is FGGLGZGKKKZYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-6-4-3-5-8(9)7(6)2/h5H,3-4,9H2,1-2H3.
What are the key properties of 5,6-dimethylcyclohexa-1,5-dien-1-amine?
5,6-dimethylcyclohexa-1,5-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 5,6-dimethylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 143080216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).