1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)oxy-N,N-bis(2-methoxyethyl)propan-2-amine

C17H31NO3 — CID 142074190

IUPAC1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)oxy-N,N-bis(2-methoxyethyl)propan-2-amine
SMILESCOCCN(CCOC)C(C)COC1=C(C)CCC=C1C
InChIInChI=1S/C17H31NO3/c1-14-7-6-8-15(2)17(14)21-13-16(3)18(9-11-19-4)10-12-20-5/h7,16H,6,8-13H2,1-5H3
InChIKeyUJTXJFLSFPBLJU-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.00
Rot. Bonds10

About 1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)oxy-N,N-bis(2-methoxyethyl)propan-2-amine

1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)oxy-N,N-bis(2-methoxyethyl)propan-2-amine (PubChem CID 142074190) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)oxy-N,N-bis(2-methoxyethyl)propan-2-amine.

Molecular Properties

Compound Name1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)oxy-N,N-bis(2-methoxyethyl)propan-2-amine
PubChem CID142074190
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Name1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)oxy-N,N-bis(2-methoxyethyl)propan-2-amine
SMILESCOCCN(CCOC)C(C)COC1=C(C)CCC=C1C
InChIInChI=1S/C17H31NO3/c1-14-7-6-8-15(2)17(14)21-13-16(3)18(9-11-19-4)10-12-20-5/h7,16H,6,8-13H2,1-5H3
InChIKeyUJTXJFLSFPBLJU-UHFFFAOYSA-N
XLogP3.00
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)oxy-N,N-bis(2-methoxyethyl)propan-2-amine?
The IUPAC name of 1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)oxy-N,N-bis(2-methoxyethyl)propan-2-amine (CID 142074190) is 1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)oxy-N,N-bis(2-methoxyethyl)propan-2-amine.
What is the SMILES notation for 1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)oxy-N,N-bis(2-methoxyethyl)propan-2-amine?
The canonical SMILES for 1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)oxy-N,N-bis(2-methoxyethyl)propan-2-amine is COCCN(CCOC)C(C)COC1=C(C)CCC=C1C.
What is the InChIKey of 1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)oxy-N,N-bis(2-methoxyethyl)propan-2-amine?
The InChIKey is UJTXJFLSFPBLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-14-7-6-8-15(2)17(14)21-13-16(3)18(9-11-19-4)10-12-20-5/h7,16H,6,8-13H2,1-5H3.
What are the key properties of 1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)oxy-N,N-bis(2-methoxyethyl)propan-2-amine?
1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)oxy-N,N-bis(2-methoxyethyl)propan-2-amine has a molecular weight of 297.44 g/mol, XLogP of 3.00, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)oxy-N,N-bis(2-methoxyethyl)propan-2-amine is sourced from PubChem (CID 142074190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).