2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-3-methoxypropan-1-ol

C12H18N2O2 — CID 106187476

IUPAC2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-3-methoxypropan-1-ol
SMILESCOCC(CO)NC1CCc2cccnc21
InChIInChI=1S/C12H18N2O2/c1-16-8-10(7-15)14-11-5-4-9-3-2-6-13-12(9)11/h2-3,6,10-11,14-15H,4-5,7-8H2,1H3
InChIKeyZZNMZOKFXVJWDG-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.67
Rot. Bonds5

About 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-3-methoxypropan-1-ol

2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-3-methoxypropan-1-ol (PubChem CID 106187476) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-3-methoxypropan-1-ol.

Molecular Properties

Compound Name2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-3-methoxypropan-1-ol
PubChem CID106187476
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-3-methoxypropan-1-ol
SMILESCOCC(CO)NC1CCc2cccnc21
InChIInChI=1S/C12H18N2O2/c1-16-8-10(7-15)14-11-5-4-9-3-2-6-13-12(9)11/h2-3,6,10-11,14-15H,4-5,7-8H2,1H3
InChIKeyZZNMZOKFXVJWDG-UHFFFAOYSA-N
XLogP0.67
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

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Related Compounds

3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-4-methoxybutan-1-ol
CID 106156845
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)propan-1-ol
CID 102772845
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-3-methylbutan-1-ol
CID 102773952
N-octan-4-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 114138079
N-(1-ethoxypropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773638
N-[(1R)-1-(4-methoxyphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774037
3-methoxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-1-ol
CID 114094230
ethyl 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)propanoate
CID 102773602
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 106282023
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-4-methoxy-2-methylbutan-2-ol
CID 106249742
N-[(1R)-1-(3-methoxyphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774050
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773190

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-3-methoxypropan-1-ol?
The IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-3-methoxypropan-1-ol (CID 106187476) is 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-3-methoxypropan-1-ol.
What is the SMILES notation for 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-3-methoxypropan-1-ol?
The canonical SMILES for 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-3-methoxypropan-1-ol is COCC(CO)NC1CCc2cccnc21.
What is the InChIKey of 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-3-methoxypropan-1-ol?
The InChIKey is ZZNMZOKFXVJWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-16-8-10(7-15)14-11-5-4-9-3-2-6-13-12(9)11/h2-3,6,10-11,14-15H,4-5,7-8H2,1H3.
What are the key properties of 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-3-methoxypropan-1-ol?
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-3-methoxypropan-1-ol has a molecular weight of 222.29 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-3-methoxypropan-1-ol is sourced from PubChem (CID 106187476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).