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

C13H20N2O — CID 102773952

IUPAC2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-3-methylbutan-1-ol
SMILESCC(C)C(CO)NC1CCc2cccnc21
InChIInChI=1S/C13H20N2O/c1-9(2)12(8-16)15-11-6-5-10-4-3-7-14-13(10)11/h3-4,7,9,11-12,15-16H,5-6,8H2,1-2H3
InChIKeyXKEKURPULDCNLF-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.68
Rot. Bonds4

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

2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-3-methylbutan-1-ol (PubChem CID 102773952) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-3-methylbutan-1-ol
PubChem CID102773952
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-3-methylbutan-1-ol
SMILESCC(C)C(CO)NC1CCc2cccnc21
InChIInChI=1S/C13H20N2O/c1-9(2)12(8-16)15-11-6-5-10-4-3-7-14-13(10)11/h3-4,7,9,11-12,15-16H,5-6,8H2,1-2H3
InChIKeyXKEKURPULDCNLF-UHFFFAOYSA-N
XLogP1.68
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-3-methylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-methoxypropan-1-ol
CID 106187476
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 106282023
N-[(1S)-1-(4-chlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774035
N-[(1S)-1-pyridin-3-ylethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774076
ethyl 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)propanoate
CID 102773602
N-[(1S)-1-(3-chlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774047
N-(1-ethoxypropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773638
N-[(1S)-1-(2-chlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774056
3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-4-methoxybutan-1-ol
CID 106156845
N-[(1R)-1-(4-methoxyphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774037
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-2-methylpropane-1,3-diol
CID 102774114

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-3-methylbutan-1-ol?
The IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-3-methylbutan-1-ol (CID 102773952) is 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-3-methylbutan-1-ol?
The canonical SMILES for 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-3-methylbutan-1-ol is CC(C)C(CO)NC1CCc2cccnc21.
What is the InChIKey of 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-3-methylbutan-1-ol?
The InChIKey is XKEKURPULDCNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9(2)12(8-16)15-11-6-5-10-4-3-7-14-13(10)11/h3-4,7,9,11-12,15-16H,5-6,8H2,1-2H3.
What are the key properties of 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-3-methylbutan-1-ol?
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-3-methylbutan-1-ol has a molecular weight of 220.32 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-3-methylbutan-1-ol is sourced from PubChem (CID 102773952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).