1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-amine

C9H18N2 — CID 82416483

IUPAC1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-amine
SMILESCN1CCC(N)C2CCCC21
InChIInChI=1S/C9H18N2/c1-11-6-5-8(10)7-3-2-4-9(7)11/h7-9H,2-6,10H2,1H3
InChIKeyWPUAQRJGVPWHMN-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.82
Rot. Bonds

About 1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-amine

1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-amine (PubChem CID 82416483) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-amine.

Molecular Properties

Compound Name1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-amine
PubChem CID82416483
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-amine
SMILESCN1CCC(N)C2CCCC21
InChIInChI=1S/C9H18N2/c1-11-6-5-8(10)7-3-2-4-9(7)11/h7-9H,2-6,10H2,1H3
InChIKeyWPUAQRJGVPWHMN-UHFFFAOYSA-N
XLogP0.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-amine?
The IUPAC name of 1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-amine (CID 82416483) is 1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-amine.
What is the SMILES notation for 1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-amine?
The canonical SMILES for 1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-amine is CN1CCC(N)C2CCCC21.
What is the InChIKey of 1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-amine?
The InChIKey is WPUAQRJGVPWHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-11-6-5-8(10)7-3-2-4-9(7)11/h7-9H,2-6,10H2,1H3.
What are the key properties of 1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-amine?
1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-amine has a molecular weight of 154.26 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-amine is sourced from PubChem (CID 82416483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).