[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylthiolan-3-yl]methanamine

C14H26N2S — CID 79950832

IUPAC[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylthiolan-3-yl]methanamine
SMILESCC1CC(CN)(N2CCCC3CCCC32)CS1
InChIInChI=1S/C14H26N2S/c1-11-8-14(9-15,10-17-11)16-7-3-5-12-4-2-6-13(12)16/h11-13H,2-10,15H2,1H3
InChIKeyVZGPGCBINGOEIM-UHFFFAOYSA-N
MW254.44 g/mol
LogP2.47
Rot. Bonds2

About [3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylthiolan-3-yl]methanamine

[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylthiolan-3-yl]methanamine (PubChem CID 79950832) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is [3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylthiolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylthiolan-3-yl]methanamine
PubChem CID79950832
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylthiolan-3-yl]methanamine
SMILESCC1CC(CN)(N2CCCC3CCCC32)CS1
InChIInChI=1S/C14H26N2S/c1-11-8-14(9-15,10-17-11)16-7-3-5-12-4-2-6-13(12)16/h11-13H,2-10,15H2,1H3
InChIKeyVZGPGCBINGOEIM-UHFFFAOYSA-N
XLogP2.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)cyclobutyl]methanamine
CID 79521878
[3-(azocan-1-yl)-5-methylthiolan-3-yl]methanamine
CID 79949507
[3-(2,4-dimethyl-1,4-diazepan-1-yl)-5-methylthiolan-3-yl]methanamine
CID 114086486
[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-methoxycyclohexyl]methanamine
CID 106872571
[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)cyclohexyl]methanamine
CID 43409671
[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-methylpiperidin-4-yl]methanamine
CID 43628102
[1-(2-cyclopentylpyrrolidin-1-yl)-4,4-dimethylcycloheptyl]methanamine
CID 65088575
[4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-ethylpiperidin-4-yl]methanamine
CID 102725752
[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine
CID 107429063
[5-methyl-3-(4-propylpiperidin-1-yl)thiolan-3-yl]methanamine
CID 79949160
[3-(2-cyclopentylpyrrolidin-1-yl)-1-cyclopropylpyrrolidin-3-yl]methanamine
CID 62977325
[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-methylthiolan-3-yl]methanamine
CID 79950119

Frequently Asked Questions

What is the IUPAC name of [3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylthiolan-3-yl]methanamine?
The IUPAC name of [3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylthiolan-3-yl]methanamine (CID 79950832) is [3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylthiolan-3-yl]methanamine.
What is the SMILES notation for [3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylthiolan-3-yl]methanamine?
The canonical SMILES for [3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylthiolan-3-yl]methanamine is CC1CC(CN)(N2CCCC3CCCC32)CS1.
What is the InChIKey of [3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylthiolan-3-yl]methanamine?
The InChIKey is VZGPGCBINGOEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-11-8-14(9-15,10-17-11)16-7-3-5-12-4-2-6-13(12)16/h11-13H,2-10,15H2,1H3.
What are the key properties of [3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylthiolan-3-yl]methanamine?
[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylthiolan-3-yl]methanamine has a molecular weight of 254.44 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylthiolan-3-yl]methanamine is sourced from PubChem (CID 79950832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).