1-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)propane-1,2-diamine

C11H17N3 — CID 83829939

IUPAC1-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)propane-1,2-diamine
SMILESCC(N)CNc1ccc2c(n1)CCC2
InChIInChI=1S/C11H17N3/c1-8(12)7-13-11-6-5-9-3-2-4-10(9)14-11/h5-6,8H,2-4,7,12H2,1H3,(H,13,14)
InChIKeyOPTGIZOOKGYILT-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.33
Rot. Bonds3

About 1-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)propane-1,2-diamine

1-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)propane-1,2-diamine (PubChem CID 83829939) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 1-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)propane-1,2-diamine
PubChem CID83829939
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name1-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)propane-1,2-diamine
SMILESCC(N)CNc1ccc2c(n1)CCC2
InChIInChI=1S/C11H17N3/c1-8(12)7-13-11-6-5-9-3-2-4-10(9)14-11/h5-6,8H,2-4,7,12H2,1H3,(H,13,14)
InChIKeyOPTGIZOOKGYILT-UHFFFAOYSA-N
XLogP1.33
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbut-2-enyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 106191346
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)acetic acid
CID 83830034
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 113390907
N-[2-(2-methoxyethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 113390836
N-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 113390795
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 113390820
N-[(1-methylpyrazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 113390879
N-[2-(1-methylpiperidin-4-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 114515997
tert-butyl N-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)ethyl]carbamate
CID 114518201
N-(thian-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 113487776
N-[2-(trifluoromethylsulfanyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 106430862
N-[2-(4-aminopyrazol-1-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 113390918

Frequently Asked Questions

What is the IUPAC name of 1-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)propane-1,2-diamine?
The IUPAC name of 1-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)propane-1,2-diamine (CID 83829939) is 1-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)propane-1,2-diamine?
The canonical SMILES for 1-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)propane-1,2-diamine is CC(N)CNc1ccc2c(n1)CCC2.
What is the InChIKey of 1-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)propane-1,2-diamine?
The InChIKey is OPTGIZOOKGYILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-8(12)7-13-11-6-5-9-3-2-4-10(9)14-11/h5-6,8H,2-4,7,12H2,1H3,(H,13,14).
What are the key properties of 1-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)propane-1,2-diamine?
1-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)propane-1,2-diamine has a molecular weight of 191.28 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)propane-1,2-diamine is sourced from PubChem (CID 83829939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).