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

C15H23N3 — CID 79233144

IUPAC6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-N-methylpyridin-2-amine
SMILESCNc1cccc(CN2CCCC3CCCC32)n1
InChIInChI=1S/C15H23N3/c1-16-15-9-3-7-13(17-15)11-18-10-4-6-12-5-2-8-14(12)18/h3,7,9,12,14H,2,4-6,8,10-11H2,1H3,(H,16,17)
InChIKeyJLKPEBHIYDVRQV-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.89
Rot. Bonds3

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

6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-N-methylpyridin-2-amine (PubChem CID 79233144) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-N-methylpyridin-2-amine
PubChem CID79233144
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-N-methylpyridin-2-amine
SMILESCNc1cccc(CN2CCCC3CCCC32)n1
InChIInChI=1S/C15H23N3/c1-16-15-9-3-7-13(17-15)11-18-10-4-6-12-5-2-8-14(12)18/h3,7,9,12,14H,2,4-6,8,10-11H2,1H3,(H,16,17)
InChIKeyJLKPEBHIYDVRQV-UHFFFAOYSA-N
XLogP2.89
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-methyl-6-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridin-2-amine
CID 79233935
N-methyl-6-[(2-methylpiperidin-1-yl)methyl]pyridin-2-amine
CID 79243246
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methylpyridin-2-amine
CID 80843359
5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-N-methylpyrazin-2-amine
CID 103056944
N-[[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-2-pyridinyl]methyl]ethanamine
CID 106907036
N-methyl-6-[(3-methylmorpholin-4-yl)methyl]pyridin-2-amine
CID 79242723
N-methyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyridin-2-amine
CID 79233400
[1-[[6-(methylamino)-2-pyridinyl]methyl]piperidin-3-yl]methanol
CID 79242797
6-[(4-cyclopropylpiperazin-1-yl)methyl]-N-methylpyridin-2-amine
CID 79243399
6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-N-ethylpyridin-2-amine
CID 79244022
N-methyl-6-(morpholin-4-ylmethyl)pyridin-2-amine
CID 79242984
N-methyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine
CID 79242714

Frequently Asked Questions

What is the IUPAC name of 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-N-methylpyridin-2-amine?
The IUPAC name of 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-N-methylpyridin-2-amine (CID 79233144) is 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-N-methylpyridin-2-amine?
The canonical SMILES for 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-N-methylpyridin-2-amine is CNc1cccc(CN2CCCC3CCCC32)n1.
What is the InChIKey of 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-N-methylpyridin-2-amine?
The InChIKey is JLKPEBHIYDVRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-16-15-9-3-7-13(17-15)11-18-10-4-6-12-5-2-8-14(12)18/h3,7,9,12,14H,2,4-6,8,10-11H2,1H3,(H,16,17).
What are the key properties of 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-N-methylpyridin-2-amine?
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-N-methylpyridin-2-amine has a molecular weight of 245.37 g/mol, XLogP of 2.89, 3 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-ylmethyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 79233144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).