(5R)-3,5-dimethylcyclohexa-1,3-dien-1-amine

C8H13N — CID 89336310

IUPAC(5R)-3,5-dimethylcyclohexa-1,3-dien-1-amine
SMILESCC1=C[C@H](C)CC(N)=C1
InChIInChI=1S/C8H13N/c1-6-3-7(2)5-8(9)4-6/h3-4,7H,5,9H2,1-2H3/t7-/m0/s1
InChIKeyWWHGNPMXWHYMGG-ZETCQYMHSA-N
MW123.20 g/mol
LogP1.82
Rot. Bonds

About (5R)-3,5-dimethylcyclohexa-1,3-dien-1-amine

(5R)-3,5-dimethylcyclohexa-1,3-dien-1-amine (PubChem CID 89336310) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (5R)-3,5-dimethylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name(5R)-3,5-dimethylcyclohexa-1,3-dien-1-amine
PubChem CID89336310
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(5R)-3,5-dimethylcyclohexa-1,3-dien-1-amine
SMILESCC1=C[C@H](C)CC(N)=C1
InChIInChI=1S/C8H13N/c1-6-3-7(2)5-8(9)4-6/h3-4,7H,5,9H2,1-2H3/t7-/m0/s1
InChIKeyWWHGNPMXWHYMGG-ZETCQYMHSA-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 (5R)-3,5-dimethylcyclohexa-1,3-dien-1-amine?
The IUPAC name of (5R)-3,5-dimethylcyclohexa-1,3-dien-1-amine (CID 89336310) is (5R)-3,5-dimethylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for (5R)-3,5-dimethylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for (5R)-3,5-dimethylcyclohexa-1,3-dien-1-amine is CC1=C[C@H](C)CC(N)=C1.
What is the InChIKey of (5R)-3,5-dimethylcyclohexa-1,3-dien-1-amine?
The InChIKey is WWHGNPMXWHYMGG-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H13N/c1-6-3-7(2)5-8(9)4-6/h3-4,7H,5,9H2,1-2H3/t7-/m0/s1.
What are the key properties of (5R)-3,5-dimethylcyclohexa-1,3-dien-1-amine?
(5R)-3,5-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 (5R)-3,5-dimethylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 89336310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).