1-[(5-amino-5-methylcyclohexa-1,3-dien-1-yl)-ethylamino]ethanol

C11H20N2O — CID 67939893

IUPAC1-[(5-amino-5-methylcyclohexa-1,3-dien-1-yl)-ethylamino]ethanol
SMILESCCN(C1=CC=CC(C)(N)C1)C(C)O
InChIInChI=1S/C11H20N2O/c1-4-13(9(2)14)10-6-5-7-11(3,12)8-10/h5-7,9,14H,4,8,12H2,1-3H3
InChIKeyBUCKOVRVGHNRBT-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.21
Rot. Bonds3

About 1-[(5-amino-5-methylcyclohexa-1,3-dien-1-yl)-ethylamino]ethanol

1-[(5-amino-5-methylcyclohexa-1,3-dien-1-yl)-ethylamino]ethanol (PubChem CID 67939893) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-[(5-amino-5-methylcyclohexa-1,3-dien-1-yl)-ethylamino]ethanol.

Molecular Properties

Compound Name1-[(5-amino-5-methylcyclohexa-1,3-dien-1-yl)-ethylamino]ethanol
PubChem CID67939893
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-[(5-amino-5-methylcyclohexa-1,3-dien-1-yl)-ethylamino]ethanol
SMILESCCN(C1=CC=CC(C)(N)C1)C(C)O
InChIInChI=1S/C11H20N2O/c1-4-13(9(2)14)10-6-5-7-11(3,12)8-10/h5-7,9,14H,4,8,12H2,1-3H3
InChIKeyBUCKOVRVGHNRBT-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
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

1-[[(3E)-5-amino-2-ethyl-4-fluorohexa-3,5-dienyl]-methylamino]ethanol
CID 89003061
1-[(6-Amino-1-methylcyclohexa-2,4-dien-1-yl)-ethylamino]ethanol
CID 19086637
2-[(4-Amino-1-ethylcyclohexa-2,4-dien-1-yl)amino]ethanol
CID 70455378
[Di(propan-2-yl)amino]-[4-(methylamino)cyclohexa-2,4-dien-1-yl]methanol
CID 70974471
1-[[(3Z)-5-amino-2-ethylhexa-3,5-dienyl]-methylamino]ethanol
CID 89003060
1-[[(3E)-4,5-diamino-2-ethylhexa-3,5-dienyl]-methylamino]ethanol
CID 89003062
2-[(4-Amino-1-methylcyclohexa-2,4-dien-1-yl)-ethylamino]ethanol
CID 141570418
4-[(4-Amino-1-methylcyclohexa-2,4-dien-1-yl)-ethylamino]butan-1-ol
CID 177728702
2-[(4-Aminocyclohexa-2,4-dien-1-yl)-ethylamino]ethanol
CID 142237529
2-[(4-Amino-3-methylcyclohexa-1,3-dien-1-yl)-(hydroxymethyl)amino]ethanol
CID 145576945
2-[(4,4-Diamino-3-methylcyclohexa-1,5-dien-1-yl)-ethylamino]ethanol
CID 158882738

Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-5-methylcyclohexa-1,3-dien-1-yl)-ethylamino]ethanol?
The IUPAC name of 1-[(5-amino-5-methylcyclohexa-1,3-dien-1-yl)-ethylamino]ethanol (CID 67939893) is 1-[(5-amino-5-methylcyclohexa-1,3-dien-1-yl)-ethylamino]ethanol.
What is the SMILES notation for 1-[(5-amino-5-methylcyclohexa-1,3-dien-1-yl)-ethylamino]ethanol?
The canonical SMILES for 1-[(5-amino-5-methylcyclohexa-1,3-dien-1-yl)-ethylamino]ethanol is CCN(C1=CC=CC(C)(N)C1)C(C)O.
What is the InChIKey of 1-[(5-amino-5-methylcyclohexa-1,3-dien-1-yl)-ethylamino]ethanol?
The InChIKey is BUCKOVRVGHNRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-13(9(2)14)10-6-5-7-11(3,12)8-10/h5-7,9,14H,4,8,12H2,1-3H3.
What are the key properties of 1-[(5-amino-5-methylcyclohexa-1,3-dien-1-yl)-ethylamino]ethanol?
1-[(5-amino-5-methylcyclohexa-1,3-dien-1-yl)-ethylamino]ethanol has a molecular weight of 196.29 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-5-methylcyclohexa-1,3-dien-1-yl)-ethylamino]ethanol is sourced from PubChem (CID 67939893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).