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

C11H21NO — CID 145384647

IUPACethane;6-methoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine
SMILESCC.COC1=CCCC=C1N(C)C
InChIInChI=1S/C9H15NO.C2H6/c1-10(2)8-6-4-5-7-9(8)11-3;1-2/h6-7H,4-5H2,1-3H3;1-2H3
InChIKeyAOWBUWSIOVPVGD-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.78
Rot. Bonds2

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

ethane;6-methoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine (PubChem CID 145384647) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is ethane;6-methoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Nameethane;6-methoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine
PubChem CID145384647
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Nameethane;6-methoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine
SMILESCC.COC1=CCCC=C1N(C)C
InChIInChI=1S/C9H15NO.C2H6/c1-10(2)8-6-4-5-7-9(8)11-3;1-2/h6-7H,4-5H2,1-3H3;1-2H3
InChIKeyAOWBUWSIOVPVGD-UHFFFAOYSA-N
XLogP2.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;6-methoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-6-(trifluoromethoxy)cyclohexa-1,5-dien-1-amine
CID 173180346
6-ethylidene-3-methoxy-N,N-dimethyl-5-methylidenecyclohexa-1,3-dien-1-amine
CID 123475527
1-(6-Methoxycyclohexa-1,5-dien-1-yl)-2-methylidenepyrrolidine
CID 130420880
6-methoxy-N-prop-1-en-2-yl-N-propylcyclohexa-1,5-dien-1-amine
CID 130420897
(3Z,5E)-5-methoxy-N,N-dimethylocta-1,3,5-trien-2-amine
CID 138633519
(2E,4E)-4-methoxy-N,N-dimethylhexa-2,4-dien-3-amine
CID 141907622
ethane;4-methoxy-N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine
CID 142305975
Ethane;6-methoxycyclohexa-1,5-dien-1-amine
CID 142373465
6-methoxy-N-methylcyclohexa-1,5-dien-1-amine
CID 142506360
2-Ethylidene-3-methyl-5,6-dihydro-1,3-benzoxazole
CID 143723737
(2E)-2-butylidene-3-methoxy-1-[(E)-3-methylpent-2-en-2-yl]pyridine
CID 144782762
1-(6-Methoxycyclohexa-1,5-dien-1-yl)-4-methylpiperazine
CID 147281998

Frequently Asked Questions

What is the IUPAC name of ethane;6-methoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine?
The IUPAC name of ethane;6-methoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine (CID 145384647) is ethane;6-methoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for ethane;6-methoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for ethane;6-methoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine is CC.COC1=CCCC=C1N(C)C.
What is the InChIKey of ethane;6-methoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine?
The InChIKey is AOWBUWSIOVPVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO.C2H6/c1-10(2)8-6-4-5-7-9(8)11-3;1-2/h6-7H,4-5H2,1-3H3;1-2H3.
What are the key properties of ethane;6-methoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine?
ethane;6-methoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 145384647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).