cyclopenta-2,4-dien-1-ylidene-[2-(dimethylamino)ethylamino]methanol

C10H16N2O — CID 166065421

IUPACcyclopenta-2,4-dien-1-ylidene-[2-(dimethylamino)ethylamino]methanol
SMILESCN(C)CCNC(O)=C1C=CC=C1
InChIInChI=1S/C10H16N2O/c1-12(2)8-7-11-10(13)9-5-3-4-6-9/h3-6,11,13H,7-8H2,1-2H3
InChIKeyUXWSPHIPTKRCPP-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.03
Rot. Bonds4

About cyclopenta-2,4-dien-1-ylidene-[2-(dimethylamino)ethylamino]methanol

cyclopenta-2,4-dien-1-ylidene-[2-(dimethylamino)ethylamino]methanol (PubChem CID 166065421) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-ylidene-[2-(dimethylamino)ethylamino]methanol.

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-ylidene-[2-(dimethylamino)ethylamino]methanol
PubChem CID166065421
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Namecyclopenta-2,4-dien-1-ylidene-[2-(dimethylamino)ethylamino]methanol
SMILESCN(C)CCNC(O)=C1C=CC=C1
InChIInChI=1S/C10H16N2O/c1-12(2)8-7-11-10(13)9-5-3-4-6-9/h3-6,11,13H,7-8H2,1-2H3
InChIKeyUXWSPHIPTKRCPP-UHFFFAOYSA-N
XLogP1.03
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethane;(2E,4E)-3-methyl-5-[methyl-[2-(methylamino)ethyl]amino]hexa-2,4-dien-2-ol
CID 144840241
(1E,3Z)-1-amino-5-methyl-6-(methylamino)hexa-1,3-dien-1-ol
CID 155372664
Cyclopenta-2,4-dien-1-ylidene-(2-methylprop-1-enylamino)methanol
CID 12824761
(2-Aminoethylamino)-cyclopenta-2,4-dien-1-ylidenemethanol
CID 129849869
Cyclopenta-2,4-dien-1-ylidene-[2-[[cyclopenta-2,4-dien-1-ylidene(hydroxy)methyl]amino]ethylamino]methanol
CID 129852896
Butylamino(cyclopenta-2,4-dien-1-ylidene)methanol
CID 135031705
3-[[Cyclopenta-2,4-dien-1-ylidene(hydroxy)methyl]amino]propyl-(cyclopenta-1,4-dien-1-ylmethyl)-dimethylazanium
CID 137300454
(2E,4E)-3-methyl-5-[methyl-[2-(methylamino)ethyl]amino]hexa-2,4-dien-2-ol
CID 144840242
Cyclopenta-2,4-dien-1-ylidene(propylamino)methanol
CID 158345737
(4-Aminobutylamino)-cyclopenta-2,4-dien-1-ylidenemethanol
CID 176372858

Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-dien-1-ylidene-[2-(dimethylamino)ethylamino]methanol?
The IUPAC name of cyclopenta-2,4-dien-1-ylidene-[2-(dimethylamino)ethylamino]methanol (CID 166065421) is cyclopenta-2,4-dien-1-ylidene-[2-(dimethylamino)ethylamino]methanol.
What is the SMILES notation for cyclopenta-2,4-dien-1-ylidene-[2-(dimethylamino)ethylamino]methanol?
The canonical SMILES for cyclopenta-2,4-dien-1-ylidene-[2-(dimethylamino)ethylamino]methanol is CN(C)CCNC(O)=C1C=CC=C1.
What is the InChIKey of cyclopenta-2,4-dien-1-ylidene-[2-(dimethylamino)ethylamino]methanol?
The InChIKey is UXWSPHIPTKRCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-12(2)8-7-11-10(13)9-5-3-4-6-9/h3-6,11,13H,7-8H2,1-2H3.
What are the key properties of cyclopenta-2,4-dien-1-ylidene-[2-(dimethylamino)ethylamino]methanol?
cyclopenta-2,4-dien-1-ylidene-[2-(dimethylamino)ethylamino]methanol has a molecular weight of 180.25 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-2,4-dien-1-ylidene-[2-(dimethylamino)ethylamino]methanol is sourced from PubChem (CID 166065421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).