6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methylpyridin-2-amine

C14H21N3 — CID 80843359

IUPAC6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methylpyridin-2-amine
SMILESCNc1cccc(N2CCCC3CCCC32)n1
InChIInChI=1S/C14H21N3/c1-15-13-8-3-9-14(16-13)17-10-4-6-11-5-2-7-12(11)17/h3,8-9,11-12H,2,4-7,10H2,1H3,(H,15,16)
InChIKeyASQWGMLZJUKGSE-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.89
Rot. Bonds2

About 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methylpyridin-2-amine

6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methylpyridin-2-amine (PubChem CID 80843359) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methylpyridin-2-amine
PubChem CID80843359
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methylpyridin-2-amine
SMILESCNc1cccc(N2CCCC3CCCC32)n1
InChIInChI=1S/C14H21N3/c1-15-13-8-3-9-14(16-13)17-10-4-6-11-5-2-7-12(11)17/h3,8-9,11-12H,2,4-7,10H2,1H3,(H,15,16)
InChIKeyASQWGMLZJUKGSE-UHFFFAOYSA-N
XLogP2.89
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methylpyridin-2-amine?
The IUPAC name of 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methylpyridin-2-amine (CID 80843359) is 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methylpyridin-2-amine.
What is the SMILES notation for 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methylpyridin-2-amine?
The canonical SMILES for 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methylpyridin-2-amine is CNc1cccc(N2CCCC3CCCC32)n1.
What is the InChIKey of 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methylpyridin-2-amine?
The InChIKey is ASQWGMLZJUKGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-15-13-8-3-9-14(16-13)17-10-4-6-11-5-2-7-12(11)17/h3,8-9,11-12H,2,4-7,10H2,1H3,(H,15,16).
What are the key properties of 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methylpyridin-2-amine?
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methylpyridin-2-amine has a molecular weight of 231.34 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methylpyridin-2-amine is sourced from PubChem (CID 80843359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).