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

C9H16N2O — CID 70290402

IUPAC6-amino-2-(ethylamino)-1-methylcyclohexa-2,4-dien-1-ol
SMILESCCNC1=CC=CC(N)C1(C)O
InChIInChI=1S/C9H16N2O/c1-3-11-8-6-4-5-7(10)9(8,2)12/h4-7,11-12H,3,10H2,1-2H3
InChIKeyJQXYYZBFGZNMIF-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.13
Rot. Bonds2

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

6-amino-2-(ethylamino)-1-methylcyclohexa-2,4-dien-1-ol (PubChem CID 70290402) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 6-amino-2-(ethylamino)-1-methylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-amino-2-(ethylamino)-1-methylcyclohexa-2,4-dien-1-ol
PubChem CID70290402
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name6-amino-2-(ethylamino)-1-methylcyclohexa-2,4-dien-1-ol
SMILESCCNC1=CC=CC(N)C1(C)O
InChIInChI=1S/C9H16N2O/c1-3-11-8-6-4-5-7(10)9(8,2)12/h4-7,11-12H,3,10H2,1-2H3
InChIKeyJQXYYZBFGZNMIF-UHFFFAOYSA-N
XLogP0.13
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(ethylamino)-1-methylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-amino-2-(ethylamino)-1-methylcyclohexa-2,4-dien-1-ol (CID 70290402) is 6-amino-2-(ethylamino)-1-methylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-amino-2-(ethylamino)-1-methylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-amino-2-(ethylamino)-1-methylcyclohexa-2,4-dien-1-ol is CCNC1=CC=CC(N)C1(C)O.
What is the InChIKey of 6-amino-2-(ethylamino)-1-methylcyclohexa-2,4-dien-1-ol?
The InChIKey is JQXYYZBFGZNMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-11-8-6-4-5-7(10)9(8,2)12/h4-7,11-12H,3,10H2,1-2H3.
What are the key properties of 6-amino-2-(ethylamino)-1-methylcyclohexa-2,4-dien-1-ol?
6-amino-2-(ethylamino)-1-methylcyclohexa-2,4-dien-1-ol has a molecular weight of 168.24 g/mol, XLogP of 0.13, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(ethylamino)-1-methylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 70290402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).