2,6-bis(2-hydroxyethylamino)-6-methylcyclohexa-1,3-dien-1-ol

C11H20N2O3 — CID 141071835

IUPAC2,6-bis(2-hydroxyethylamino)-6-methylcyclohexa-1,3-dien-1-ol
SMILESCC1(NCCO)CC=CC(NCCO)=C1O
InChIInChI=1S/C11H20N2O3/c1-11(13-6-8-15)4-2-3-9(10(11)16)12-5-7-14/h2-3,12-16H,4-8H2,1H3
InChIKeyWKTJFHGVPXWMQF-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.36
Rot. Bonds6

About 2,6-bis(2-hydroxyethylamino)-6-methylcyclohexa-1,3-dien-1-ol

2,6-bis(2-hydroxyethylamino)-6-methylcyclohexa-1,3-dien-1-ol (PubChem CID 141071835) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2,6-bis(2-hydroxyethylamino)-6-methylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name2,6-bis(2-hydroxyethylamino)-6-methylcyclohexa-1,3-dien-1-ol
PubChem CID141071835
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2,6-bis(2-hydroxyethylamino)-6-methylcyclohexa-1,3-dien-1-ol
SMILESCC1(NCCO)CC=CC(NCCO)=C1O
InChIInChI=1S/C11H20N2O3/c1-11(13-6-8-15)4-2-3-9(10(11)16)12-5-7-14/h2-3,12-16H,4-8H2,1H3
InChIKeyWKTJFHGVPXWMQF-UHFFFAOYSA-N
XLogP-0.36
TPSA84.75 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(2-hydroxyethylamino)-6-methylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 2,6-bis(2-hydroxyethylamino)-6-methylcyclohexa-1,3-dien-1-ol (CID 141071835) is 2,6-bis(2-hydroxyethylamino)-6-methylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 2,6-bis(2-hydroxyethylamino)-6-methylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 2,6-bis(2-hydroxyethylamino)-6-methylcyclohexa-1,3-dien-1-ol is CC1(NCCO)CC=CC(NCCO)=C1O.
What is the InChIKey of 2,6-bis(2-hydroxyethylamino)-6-methylcyclohexa-1,3-dien-1-ol?
The InChIKey is WKTJFHGVPXWMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-11(13-6-8-15)4-2-3-9(10(11)16)12-5-7-14/h2-3,12-16H,4-8H2,1H3.
What are the key properties of 2,6-bis(2-hydroxyethylamino)-6-methylcyclohexa-1,3-dien-1-ol?
2,6-bis(2-hydroxyethylamino)-6-methylcyclohexa-1,3-dien-1-ol has a molecular weight of 228.29 g/mol, XLogP of -0.36, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(2-hydroxyethylamino)-6-methylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 141071835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).