ethane;N-(2-methoxyethyl)-N,4-dimethylcyclohexa-1,3-dien-1-amine

C13H25NO — CID 143259688

IUPACethane;N-(2-methoxyethyl)-N,4-dimethylcyclohexa-1,3-dien-1-amine
SMILESCC.COCCN(C)C1=CC=C(C)CC1
InChIInChI=1S/C11H19NO.C2H6/c1-10-4-6-11(7-5-10)12(2)8-9-13-3;1-2/h4,6H,5,7-9H2,1-3H3;1-2H3
InChIKeyMRWJZTYPOFZUNN-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.21
Rot. Bonds4

About ethane;N-(2-methoxyethyl)-N,4-dimethylcyclohexa-1,3-dien-1-amine

ethane;N-(2-methoxyethyl)-N,4-dimethylcyclohexa-1,3-dien-1-amine (PubChem CID 143259688) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is ethane;N-(2-methoxyethyl)-N,4-dimethylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Nameethane;N-(2-methoxyethyl)-N,4-dimethylcyclohexa-1,3-dien-1-amine
PubChem CID143259688
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Nameethane;N-(2-methoxyethyl)-N,4-dimethylcyclohexa-1,3-dien-1-amine
SMILESCC.COCCN(C)C1=CC=C(C)CC1
InChIInChI=1S/C11H19NO.C2H6/c1-10-4-6-11(7-5-10)12(2)8-9-13-3;1-2/h4,6H,5,7-9H2,1-3H3;1-2H3
InChIKeyMRWJZTYPOFZUNN-UHFFFAOYSA-N
XLogP3.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-methoxyethyl)-N,4-dimethylcyclohexa-1,3-dien-1-amine?
The IUPAC name of ethane;N-(2-methoxyethyl)-N,4-dimethylcyclohexa-1,3-dien-1-amine (CID 143259688) is ethane;N-(2-methoxyethyl)-N,4-dimethylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for ethane;N-(2-methoxyethyl)-N,4-dimethylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for ethane;N-(2-methoxyethyl)-N,4-dimethylcyclohexa-1,3-dien-1-amine is CC.COCCN(C)C1=CC=C(C)CC1.
What is the InChIKey of ethane;N-(2-methoxyethyl)-N,4-dimethylcyclohexa-1,3-dien-1-amine?
The InChIKey is MRWJZTYPOFZUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO.C2H6/c1-10-4-6-11(7-5-10)12(2)8-9-13-3;1-2/h4,6H,5,7-9H2,1-3H3;1-2H3.
What are the key properties of ethane;N-(2-methoxyethyl)-N,4-dimethylcyclohexa-1,3-dien-1-amine?
ethane;N-(2-methoxyethyl)-N,4-dimethylcyclohexa-1,3-dien-1-amine has a molecular weight of 211.35 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-methoxyethyl)-N,4-dimethylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 143259688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).