2-(4,6-diamino-1-ethylcyclohexa-2,4-dien-1-yl)ethanol

C10H18N2O — CID 70455380

IUPAC2-(4,6-diamino-1-ethylcyclohexa-2,4-dien-1-yl)ethanol
SMILESCCC1(CCO)C=CC(N)=CC1N
InChIInChI=1S/C10H18N2O/c1-2-10(5-6-13)4-3-8(11)7-9(10)12/h3-4,7,9,13H,2,5-6,11-12H2,1H3
InChIKeyMHIZVJGOKFRADR-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.50
Rot. Bonds3

About 2-(4,6-diamino-1-ethylcyclohexa-2,4-dien-1-yl)ethanol

2-(4,6-diamino-1-ethylcyclohexa-2,4-dien-1-yl)ethanol (PubChem CID 70455380) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-(4,6-diamino-1-ethylcyclohexa-2,4-dien-1-yl)ethanol.

Molecular Properties

Compound Name2-(4,6-diamino-1-ethylcyclohexa-2,4-dien-1-yl)ethanol
PubChem CID70455380
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-(4,6-diamino-1-ethylcyclohexa-2,4-dien-1-yl)ethanol
SMILESCCC1(CCO)C=CC(N)=CC1N
InChIInChI=1S/C10H18N2O/c1-2-10(5-6-13)4-3-8(11)7-9(10)12/h3-4,7,9,13H,2,5-6,11-12H2,1H3
InChIKeyMHIZVJGOKFRADR-UHFFFAOYSA-N
XLogP0.50
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diamino-1-ethylcyclohexa-2,4-dien-1-yl)ethanol?
The IUPAC name of 2-(4,6-diamino-1-ethylcyclohexa-2,4-dien-1-yl)ethanol (CID 70455380) is 2-(4,6-diamino-1-ethylcyclohexa-2,4-dien-1-yl)ethanol.
What is the SMILES notation for 2-(4,6-diamino-1-ethylcyclohexa-2,4-dien-1-yl)ethanol?
The canonical SMILES for 2-(4,6-diamino-1-ethylcyclohexa-2,4-dien-1-yl)ethanol is CCC1(CCO)C=CC(N)=CC1N.
What is the InChIKey of 2-(4,6-diamino-1-ethylcyclohexa-2,4-dien-1-yl)ethanol?
The InChIKey is MHIZVJGOKFRADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-10(5-6-13)4-3-8(11)7-9(10)12/h3-4,7,9,13H,2,5-6,11-12H2,1H3.
What are the key properties of 2-(4,6-diamino-1-ethylcyclohexa-2,4-dien-1-yl)ethanol?
2-(4,6-diamino-1-ethylcyclohexa-2,4-dien-1-yl)ethanol has a molecular weight of 182.27 g/mol, XLogP of 0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diamino-1-ethylcyclohexa-2,4-dien-1-yl)ethanol is sourced from PubChem (CID 70455380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).