3-(5,6-dimethylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-amine

C14H19N — CID 138509304

IUPAC3-(5,6-dimethylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-amine
SMILESCC1C=CC=C(C2=CCCC(N)=C2)C1C
InChIInChI=1S/C14H19N/c1-10-5-3-8-14(11(10)2)12-6-4-7-13(15)9-12/h3,5-6,8-11H,4,7,15H2,1-2H3
InChIKeyVIKXSTFEGRJGHY-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.32
Rot. Bonds1

About 3-(5,6-dimethylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-amine

3-(5,6-dimethylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-amine (PubChem CID 138509304) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-(5,6-dimethylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name3-(5,6-dimethylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-amine
PubChem CID138509304
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name3-(5,6-dimethylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-amine
SMILESCC1C=CC=C(C2=CCCC(N)=C2)C1C
InChIInChI=1S/C14H19N/c1-10-5-3-8-14(11(10)2)12-6-4-7-13(15)9-12/h3,5-6,8-11H,4,7,15H2,1-2H3
InChIKeyVIKXSTFEGRJGHY-UHFFFAOYSA-N
XLogP3.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-amine
CID 138737890
4-(5-aminocyclohexa-1,5-dien-1-yl)aniline
CID 155261407
2-[(5R,6S)-5,6-dimethylcyclohexa-1,3-dien-1-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 14938238
3-iodocyclohexa-1,3-dien-1-amine
CID 163710281
1-chloro-6-cyclopropyl-5-methylcyclohexa-1,3-diene
CID 175915204
5-methylcyclohexa-1,3-dien-1-amine
CID 67612284
3-[(E)-1-cyclopenta-1,3-dien-1-ylprop-1-en-2-yl]cyclohexa-1,3-dien-1-amine
CID 155072944
5-aminocyclohexa-1,5-diene-1-carbonitrile
CID 89191379
N-methyl-N-[3-[5-(5-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-1,3-dien-1-yl]aniline
CID 88988355
(5-aminocyclohexa-1,5-dien-1-yl) methanesulfonate
CID 173139254
(5S)-5-methylcyclohexen-1-amine
CID 163541060
2,4-dimethyl-5,6-dihydro-4H-indene
CID 139810166

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of 3-(5,6-dimethylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-amine (CID 138509304) is 3-(5,6-dimethylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 3-(5,6-dimethylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 3-(5,6-dimethylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-amine is CC1C=CC=C(C2=CCCC(N)=C2)C1C.
What is the InChIKey of 3-(5,6-dimethylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-amine?
The InChIKey is VIKXSTFEGRJGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-10-5-3-8-14(11(10)2)12-6-4-7-13(15)9-12/h3,5-6,8-11H,4,7,15H2,1-2H3.
What are the key properties of 3-(5,6-dimethylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-amine?
3-(5,6-dimethylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-amine has a molecular weight of 201.31 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 138509304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).