5-methoxy-4,5-dimethylcyclohexa-1,3-dien-1-amine

C9H15NO — CID 154414779

IUPAC5-methoxy-4,5-dimethylcyclohexa-1,3-dien-1-amine
SMILESCOC1(C)CC(N)=CC=C1C
InChIInChI=1S/C9H15NO/c1-7-4-5-8(10)6-9(7,2)11-3/h4-5H,6,10H2,1-3H3
InChIKeyDCWWCZOCHFUQSS-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.58
Rot. Bonds1

About 5-methoxy-4,5-dimethylcyclohexa-1,3-dien-1-amine

5-methoxy-4,5-dimethylcyclohexa-1,3-dien-1-amine (PubChem CID 154414779) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 5-methoxy-4,5-dimethylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name5-methoxy-4,5-dimethylcyclohexa-1,3-dien-1-amine
PubChem CID154414779
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name5-methoxy-4,5-dimethylcyclohexa-1,3-dien-1-amine
SMILESCOC1(C)CC(N)=CC=C1C
InChIInChI=1S/C9H15NO/c1-7-4-5-8(10)6-9(7,2)11-3/h4-5H,6,10H2,1-3H3
InChIKeyDCWWCZOCHFUQSS-UHFFFAOYSA-N
XLogP1.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4,5-dimethylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 5-methoxy-4,5-dimethylcyclohexa-1,3-dien-1-amine (CID 154414779) is 5-methoxy-4,5-dimethylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 5-methoxy-4,5-dimethylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 5-methoxy-4,5-dimethylcyclohexa-1,3-dien-1-amine is COC1(C)CC(N)=CC=C1C.
What is the InChIKey of 5-methoxy-4,5-dimethylcyclohexa-1,3-dien-1-amine?
The InChIKey is DCWWCZOCHFUQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7-4-5-8(10)6-9(7,2)11-3/h4-5H,6,10H2,1-3H3.
What are the key properties of 5-methoxy-4,5-dimethylcyclohexa-1,3-dien-1-amine?
5-methoxy-4,5-dimethylcyclohexa-1,3-dien-1-amine has a molecular weight of 153.22 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4,5-dimethylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 154414779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).