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

C9H15NO — CID 145384648

IUPAC6-methoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine
SMILESCOC1=CCCC=C1N(C)C
InChIInChI=1S/C9H15NO/c1-10(2)8-6-4-5-7-9(8)11-3/h6-7H,4-5H2,1-3H3
InChIKeyMSBCYOLKRDNJDJ-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.76
Rot. Bonds2

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

6-methoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine (PubChem CID 145384648) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 6-methoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name6-methoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine
PubChem CID145384648
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name6-methoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine
SMILESCOC1=CCCC=C1N(C)C
InChIInChI=1S/C9H15NO/c1-10(2)8-6-4-5-7-9(8)11-3/h6-7H,4-5H2,1-3H3
InChIKeyMSBCYOLKRDNJDJ-UHFFFAOYSA-N
XLogP1.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 6-methoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine (CID 145384648) is 6-methoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 6-methoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 6-methoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine is COC1=CCCC=C1N(C)C.
What is the InChIKey of 6-methoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine?
The InChIKey is MSBCYOLKRDNJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-10(2)8-6-4-5-7-9(8)11-3/h6-7H,4-5H2,1-3H3.
What are the key properties of 6-methoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine?
6-methoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine has a molecular weight of 153.22 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 145384648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).