2-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethoxy]ethanol

C12H18N2O2 — CID 102772782

IUPAC2-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethoxy]ethanol
SMILESOCCOCCNC1CCc2cccnc21
InChIInChI=1S/C12H18N2O2/c15-7-9-16-8-6-13-11-4-3-10-2-1-5-14-12(10)11/h1-2,5,11,13,15H,3-4,6-9H2
InChIKeyHNJIIIFBWXWXAD-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.67
Rot. Bonds6

About 2-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethoxy]ethanol

2-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethoxy]ethanol (PubChem CID 102772782) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethoxy]ethanol
PubChem CID102772782
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethoxy]ethanol
SMILESOCCOCCNC1CCc2cccnc21
InChIInChI=1S/C12H18N2O2/c15-7-9-16-8-6-13-11-4-3-10-2-1-5-14-12(10)11/h1-2,5,11,13,15H,3-4,6-9H2
InChIKeyHNJIIIFBWXWXAD-UHFFFAOYSA-N
XLogP0.67
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenylmethoxyethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 141138632
3-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethylsulfanyl]propan-1-ol
CID 106309493
N-but-3-ynyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773823
5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentan-1-ol
CID 107316747
N-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79080293
N-(2-methylprop-2-enyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 114615760
N-(3-methylsulfanylbutyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774294
N-(3-methylsulfonylpropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773526
3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-N-propan-2-ylpropanamide
CID 102774214
3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-4-methoxybutan-1-ol
CID 106156845
N-(cyclopentylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079348
N-[3-(oxolan-2-ylmethoxy)propyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079663

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethoxy]ethanol?
The IUPAC name of 2-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethoxy]ethanol (CID 102772782) is 2-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethoxy]ethanol?
The canonical SMILES for 2-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethoxy]ethanol is OCCOCCNC1CCc2cccnc21.
What is the InChIKey of 2-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethoxy]ethanol?
The InChIKey is HNJIIIFBWXWXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c15-7-9-16-8-6-13-11-4-3-10-2-1-5-14-12(10)11/h1-2,5,11,13,15H,3-4,6-9H2.
What are the key properties of 2-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethoxy]ethanol?
2-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethoxy]ethanol has a molecular weight of 222.29 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethoxy]ethanol is sourced from PubChem (CID 102772782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).