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

C10H16N2O — CID 175808912

IUPACamino-[2-[2-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-ylidene]methanol
SMILESCN(C)CCC1=CC=CC1=C(N)O
InChIInChI=1S/C10H16N2O/c1-12(2)7-6-8-4-3-5-9(8)10(11)13/h3-5,13H,6-7,11H2,1-2H3
InChIKeySLZXSUQXIFTJFY-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.16
Rot. Bonds3

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

amino-[2-[2-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-ylidene]methanol (PubChem CID 175808912) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is amino-[2-[2-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-ylidene]methanol.

Molecular Properties

Compound Nameamino-[2-[2-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-ylidene]methanol
PubChem CID175808912
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Nameamino-[2-[2-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-ylidene]methanol
SMILESCN(C)CCC1=CC=CC1=C(N)O
InChIInChI=1S/C10H16N2O/c1-12(2)7-6-8-4-3-5-9(8)10(11)13/h3-5,13H,6-7,11H2,1-2H3
InChIKeySLZXSUQXIFTJFY-UHFFFAOYSA-N
XLogP1.16
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.16
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

(E)-amino-[(4Z)-4-[3-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]-2-fluorocyclohexa-2,5-dien-1-ylidene]methanol
CID 168011181
(Z,3Z)-1-(dimethylamino)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]prop-1-en-1-ol
CID 134965716
(4-Aminobutylamino)-cyclopenta-2,4-dien-1-ylidenemethanol
CID 176372858

Frequently Asked Questions

What is the IUPAC name of amino-[2-[2-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-ylidene]methanol?
The IUPAC name of amino-[2-[2-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-ylidene]methanol (CID 175808912) is amino-[2-[2-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-ylidene]methanol.
What is the SMILES notation for amino-[2-[2-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-ylidene]methanol?
The canonical SMILES for amino-[2-[2-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-ylidene]methanol is CN(C)CCC1=CC=CC1=C(N)O.
What is the InChIKey of amino-[2-[2-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-ylidene]methanol?
The InChIKey is SLZXSUQXIFTJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-12(2)7-6-8-4-3-5-9(8)10(11)13/h3-5,13H,6-7,11H2,1-2H3.
What are the key properties of amino-[2-[2-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-ylidene]methanol?
amino-[2-[2-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-ylidene]methanol has a molecular weight of 180.25 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[2-[2-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-ylidene]methanol is sourced from PubChem (CID 175808912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).