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

C12H18N2O2 — CID 102774114

IUPAC2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)NC1CCc2cccnc21
InChIInChI=1S/C12H18N2O2/c1-12(7-15,8-16)14-10-5-4-9-3-2-6-13-11(9)10/h2-3,6,10,14-16H,4-5,7-8H2,1H3
InChIKeyFPIZZNNZROGEBA-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.40
Rot. Bonds4

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

2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-2-methylpropane-1,3-diol (PubChem CID 102774114) 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)-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-2-methylpropane-1,3-diol
PubChem CID102774114
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)NC1CCc2cccnc21
InChIInChI=1S/C12H18N2O2/c1-12(7-15,8-16)14-10-5-4-9-3-2-6-13-11(9)10/h2-3,6,10,14-16H,4-5,7-8H2,1H3
InChIKeyFPIZZNNZROGEBA-UHFFFAOYSA-N
XLogP0.40
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-ylamino)propan-2-ol
CID 79078513
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-4-methoxy-2-methylbutan-2-ol
CID 106249742
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)butanamide
CID 170583156
3,3-dimethyl-4-(5,6,7,8-tetrahydroquinolin-8-ylamino)butan-1-ol
CID 114149434
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-3-methoxypropan-1-ol
CID 106187476
N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102772784
2-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethoxy]ethanol
CID 102772782
3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-4-methoxybutan-1-ol
CID 106156845
N-(2-ethoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774269
3-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethylsulfanyl]propan-1-ol
CID 106309493

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-2-methylpropane-1,3-diol?
The IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-2-methylpropane-1,3-diol (CID 102774114) is 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-2-methylpropane-1,3-diol?
The canonical SMILES for 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-2-methylpropane-1,3-diol is CC(CO)(CO)NC1CCc2cccnc21.
What is the InChIKey of 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-2-methylpropane-1,3-diol?
The InChIKey is FPIZZNNZROGEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-12(7-15,8-16)14-10-5-4-9-3-2-6-13-11(9)10/h2-3,6,10,14-16H,4-5,7-8H2,1H3.
What are the key properties of 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-2-methylpropane-1,3-diol?
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-2-methylpropane-1,3-diol has a molecular weight of 222.29 g/mol, XLogP of 0.40, 4 rotatable bonds, 3 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)-2-methylpropane-1,3-diol is sourced from PubChem (CID 102774114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).