6,6-diamino-3-ethylcyclohexa-2,4-dien-1-ol

C8H14N2O — CID 150354551

IUPAC6,6-diamino-3-ethylcyclohexa-2,4-dien-1-ol
SMILESCCC1=CC(O)C(N)(N)C=C1
InChIInChI=1S/C8H14N2O/c1-2-6-3-4-8(9,10)7(11)5-6/h3-5,7,11H,2,9-10H2,1H3
InChIKeyGULBOQLDERIXEJ-UHFFFAOYSA-N
MW154.21 g/mol
LogP-0.13
Rot. Bonds1

About 6,6-diamino-3-ethylcyclohexa-2,4-dien-1-ol

6,6-diamino-3-ethylcyclohexa-2,4-dien-1-ol (PubChem CID 150354551) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 6,6-diamino-3-ethylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6,6-diamino-3-ethylcyclohexa-2,4-dien-1-ol
PubChem CID150354551
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name6,6-diamino-3-ethylcyclohexa-2,4-dien-1-ol
SMILESCCC1=CC(O)C(N)(N)C=C1
InChIInChI=1S/C8H14N2O/c1-2-6-3-4-8(9,10)7(11)5-6/h3-5,7,11H,2,9-10H2,1H3
InChIKeyGULBOQLDERIXEJ-UHFFFAOYSA-N
XLogP-0.13
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
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

2-ethyl-5,5-dimethylcyclopenta-1,3-diene
CID 572140
bis(3-ethylcyclopenta-2,4-dien-1-yl)-dimethylsilane
CID 139667907
1,4-diethylcyclohexa-2,4-dien-1-ol
CID 67887745
3-ethyl-N-methylcyclohexa-2,4-dien-1-amine
CID 123351089
6-chloro-2-ethylcyclohexa-1,3-diene
CID 70372426
2-ethyl-5-(2-methylpropyl)cyclopenta-1,3-diene
CID 159430648
6-ethyl-3-methyl-3-propan-2-ylazepine
CID 171542414
1-(4-ethyl-1-methylcyclohexa-2,4-dien-1-yl)pyrrolidine
CID 166883315
(6R)-6-chloro-2-ethyl-5-undecylcyclohexa-1,3-diene
CID 130459982
2-(1,4-diethylcyclohexa-2,4-dien-1-yl)ethenamine
CID 142719154
1,3-diethylcyclobuta-1,3-diene
CID 21364081
6-(5-ethyl-1-methyl-3-propyl-3a,7a-dihydro-1H-inden-2-yl)hexan-1-amine
CID 142978171

Frequently Asked Questions

What is the IUPAC name of 6,6-diamino-3-ethylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 6,6-diamino-3-ethylcyclohexa-2,4-dien-1-ol (CID 150354551) is 6,6-diamino-3-ethylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6,6-diamino-3-ethylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6,6-diamino-3-ethylcyclohexa-2,4-dien-1-ol is CCC1=CC(O)C(N)(N)C=C1.
What is the InChIKey of 6,6-diamino-3-ethylcyclohexa-2,4-dien-1-ol?
The InChIKey is GULBOQLDERIXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-2-6-3-4-8(9,10)7(11)5-6/h3-5,7,11H,2,9-10H2,1H3.
What are the key properties of 6,6-diamino-3-ethylcyclohexa-2,4-dien-1-ol?
6,6-diamino-3-ethylcyclohexa-2,4-dien-1-ol has a molecular weight of 154.21 g/mol, XLogP of -0.13, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-diamino-3-ethylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 150354551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).