2-[(4-amino-1-ethylcyclohexa-2,4-dien-1-yl)amino]ethanol

C10H18N2O — CID 70455378

IUPAC2-[(4-amino-1-ethylcyclohexa-2,4-dien-1-yl)amino]ethanol
SMILESCCC1(NCCO)C=CC(N)=CC1
InChIInChI=1S/C10H18N2O/c1-2-10(12-7-8-13)5-3-9(11)4-6-10/h3-5,12-13H,2,6-8,11H2,1H3
InChIKeyUUFSYADIQGWDHS-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.52
Rot. Bonds4

About 2-[(4-amino-1-ethylcyclohexa-2,4-dien-1-yl)amino]ethanol

2-[(4-amino-1-ethylcyclohexa-2,4-dien-1-yl)amino]ethanol (PubChem CID 70455378) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-[(4-amino-1-ethylcyclohexa-2,4-dien-1-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-amino-1-ethylcyclohexa-2,4-dien-1-yl)amino]ethanol
PubChem CID70455378
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-[(4-amino-1-ethylcyclohexa-2,4-dien-1-yl)amino]ethanol
SMILESCCC1(NCCO)C=CC(N)=CC1
InChIInChI=1S/C10H18N2O/c1-2-10(12-7-8-13)5-3-9(11)4-6-10/h3-5,12-13H,2,6-8,11H2,1H3
InChIKeyUUFSYADIQGWDHS-UHFFFAOYSA-N
XLogP0.52
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(4-amino-1-ethylcyclohexa-2,4-dien-1-yl)amino]ethanol with MolForge

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Related Compounds

2-[(4-Amino-2,6-difluoro-1-methylcyclohexa-2,4-dien-1-yl)amino]ethanol
CID 117681484
2-[[4-Amino-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]amino]ethanol
CID 162536707
2-(Cyclohexa-1,5-dien-1-ylamino)ethanol
CID 21477241
2-[(6-Amino-1-methylcyclohexa-2,4-dien-1-yl)amino]ethanol
CID 67043350
1-[(5-Amino-5-methylcyclohexa-1,3-dien-1-yl)-ethylamino]ethanol
CID 67939893
1-N-(2-ethoxyethyl)-4-methylcyclohexa-1,5-diene-1,4-diamine
CID 69905513
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-[(4-Amino-4-ethyl-2-methylcyclohexa-1,5-dien-1-yl)amino]ethanol
CID 70445416
2-[(4-Amino-4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)amino]ethanol
CID 70541267
2-[[(4Z)-6-(methylamino)-3-methylidenehepta-1,4,6-trien-2-yl]amino]ethanol
CID 117614804
2-[(1,6-Dimethylcyclohexa-2,4-dien-1-yl)amino]ethanol
CID 140975716

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1-ethylcyclohexa-2,4-dien-1-yl)amino]ethanol?
The IUPAC name of 2-[(4-amino-1-ethylcyclohexa-2,4-dien-1-yl)amino]ethanol (CID 70455378) is 2-[(4-amino-1-ethylcyclohexa-2,4-dien-1-yl)amino]ethanol.
What is the SMILES notation for 2-[(4-amino-1-ethylcyclohexa-2,4-dien-1-yl)amino]ethanol?
The canonical SMILES for 2-[(4-amino-1-ethylcyclohexa-2,4-dien-1-yl)amino]ethanol is CCC1(NCCO)C=CC(N)=CC1.
What is the InChIKey of 2-[(4-amino-1-ethylcyclohexa-2,4-dien-1-yl)amino]ethanol?
The InChIKey is UUFSYADIQGWDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-10(12-7-8-13)5-3-9(11)4-6-10/h3-5,12-13H,2,6-8,11H2,1H3.
What are the key properties of 2-[(4-amino-1-ethylcyclohexa-2,4-dien-1-yl)amino]ethanol?
2-[(4-amino-1-ethylcyclohexa-2,4-dien-1-yl)amino]ethanol has a molecular weight of 182.27 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1-ethylcyclohexa-2,4-dien-1-yl)amino]ethanol is sourced from PubChem (CID 70455378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).