1-[(6-amino-1-methylcyclohexa-2,4-dien-1-yl)-ethylamino]ethanol

C11H20N2O — CID 19086637

IUPAC1-[(6-amino-1-methylcyclohexa-2,4-dien-1-yl)-ethylamino]ethanol
SMILESCCN(C(C)O)C1(C)C=CC=CC1N
InChIInChI=1S/C11H20N2O/c1-4-13(9(2)14)11(3)8-6-5-7-10(11)12/h5-10,14H,4,12H2,1-3H3
InChIKeyIMKACTUPRVVWNI-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.86
Rot. Bonds3

About 1-[(6-amino-1-methylcyclohexa-2,4-dien-1-yl)-ethylamino]ethanol

1-[(6-amino-1-methylcyclohexa-2,4-dien-1-yl)-ethylamino]ethanol (PubChem CID 19086637) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-[(6-amino-1-methylcyclohexa-2,4-dien-1-yl)-ethylamino]ethanol.

Molecular Properties

Compound Name1-[(6-amino-1-methylcyclohexa-2,4-dien-1-yl)-ethylamino]ethanol
PubChem CID19086637
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-[(6-amino-1-methylcyclohexa-2,4-dien-1-yl)-ethylamino]ethanol
SMILESCCN(C(C)O)C1(C)C=CC=CC1N
InChIInChI=1S/C11H20N2O/c1-4-13(9(2)14)11(3)8-6-5-7-10(11)12/h5-10,14H,4,12H2,1-3H3
InChIKeyIMKACTUPRVVWNI-UHFFFAOYSA-N
XLogP0.86
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Diethyl-2 methylphenylenediamine
CID 70422147
1-[(4-Amino-4-ethylcyclohexa-2,5-dien-1-yl)amino]ethanol
CID 20185049
1-[(6-Amino-1-methylcyclohexa-2,4-dien-1-yl)-ethylamino]ethanol;sulfuric acid
CID 23042492
2-[(6-Amino-1-methylcyclohexa-2,4-dien-1-yl)amino]ethanol
CID 67043350
1-[(6-Amino-1-chlorocyclohexa-2,4-dien-1-yl)-(1-hydroxyethyl)amino]ethanol
CID 67208908
2-[(6-Amino-6-methylcyclohexa-2,4-dien-1-yl)-ethylamino]ethanol
CID 67731704
1-[(5-Amino-5-methylcyclohexa-1,3-dien-1-yl)-ethylamino]ethanol
CID 67939893
2-[[6-(2-Hydroxyethylamino)-6-methylcyclohexa-2,4-dien-1-yl]amino]ethanol
CID 69977764
2-[(1-Methylcyclohexa-2,4-dien-1-yl)amino]ethanol
CID 70006133
2-[(6-Amino-1-methylcyclohexa-2,4-dien-1-yl)-(2-hydroxyethyl)amino]ethanol
CID 137522991
1-N-(2-aminoethyl)-1-methylcyclohexa-3,5-diene-1,2-diamine;hydrate
CID 139830674
2-[(6-Amino-1,4-diethylcyclohexa-2,4-dien-1-yl)-(2-hydroxyethyl)amino]ethanol
CID 140999885

Frequently Asked Questions

What is the IUPAC name of 1-[(6-amino-1-methylcyclohexa-2,4-dien-1-yl)-ethylamino]ethanol?
The IUPAC name of 1-[(6-amino-1-methylcyclohexa-2,4-dien-1-yl)-ethylamino]ethanol (CID 19086637) is 1-[(6-amino-1-methylcyclohexa-2,4-dien-1-yl)-ethylamino]ethanol.
What is the SMILES notation for 1-[(6-amino-1-methylcyclohexa-2,4-dien-1-yl)-ethylamino]ethanol?
The canonical SMILES for 1-[(6-amino-1-methylcyclohexa-2,4-dien-1-yl)-ethylamino]ethanol is CCN(C(C)O)C1(C)C=CC=CC1N.
What is the InChIKey of 1-[(6-amino-1-methylcyclohexa-2,4-dien-1-yl)-ethylamino]ethanol?
The InChIKey is IMKACTUPRVVWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-13(9(2)14)11(3)8-6-5-7-10(11)12/h5-10,14H,4,12H2,1-3H3.
What are the key properties of 1-[(6-amino-1-methylcyclohexa-2,4-dien-1-yl)-ethylamino]ethanol?
1-[(6-amino-1-methylcyclohexa-2,4-dien-1-yl)-ethylamino]ethanol has a molecular weight of 196.29 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-amino-1-methylcyclohexa-2,4-dien-1-yl)-ethylamino]ethanol is sourced from PubChem (CID 19086637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).