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

C9H16N2O2 — CID 150995087

IUPAC4-amino-6-(2-hydroxyethylamino)-6-methylcyclohexa-1,3-dien-1-ol
SMILESCC1(NCCO)CC(N)=CC=C1O
InChIInChI=1S/C9H16N2O2/c1-9(11-4-5-12)6-7(10)2-3-8(9)13/h2-3,11-13H,4-6,10H2,1H3
InChIKeyLSXRPBHDFQZZGN-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.02
Rot. Bonds3

About 4-amino-6-(2-hydroxyethylamino)-6-methylcyclohexa-1,3-dien-1-ol

4-amino-6-(2-hydroxyethylamino)-6-methylcyclohexa-1,3-dien-1-ol (PubChem CID 150995087) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 4-amino-6-(2-hydroxyethylamino)-6-methylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name4-amino-6-(2-hydroxyethylamino)-6-methylcyclohexa-1,3-dien-1-ol
PubChem CID150995087
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name4-amino-6-(2-hydroxyethylamino)-6-methylcyclohexa-1,3-dien-1-ol
SMILESCC1(NCCO)CC(N)=CC=C1O
InChIInChI=1S/C9H16N2O2/c1-9(11-4-5-12)6-7(10)2-3-8(9)13/h2-3,11-13H,4-6,10H2,1H3
InChIKeyLSXRPBHDFQZZGN-UHFFFAOYSA-N
XLogP0.02
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(2-hydroxyethylamino)-6-methylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 4-amino-6-(2-hydroxyethylamino)-6-methylcyclohexa-1,3-dien-1-ol (CID 150995087) is 4-amino-6-(2-hydroxyethylamino)-6-methylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 4-amino-6-(2-hydroxyethylamino)-6-methylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 4-amino-6-(2-hydroxyethylamino)-6-methylcyclohexa-1,3-dien-1-ol is CC1(NCCO)CC(N)=CC=C1O.
What is the InChIKey of 4-amino-6-(2-hydroxyethylamino)-6-methylcyclohexa-1,3-dien-1-ol?
The InChIKey is LSXRPBHDFQZZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-9(11-4-5-12)6-7(10)2-3-8(9)13/h2-3,11-13H,4-6,10H2,1H3.
What are the key properties of 4-amino-6-(2-hydroxyethylamino)-6-methylcyclohexa-1,3-dien-1-ol?
4-amino-6-(2-hydroxyethylamino)-6-methylcyclohexa-1,3-dien-1-ol has a molecular weight of 184.24 g/mol, XLogP of 0.02, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(2-hydroxyethylamino)-6-methylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 150995087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).