[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(methylamino)cyclohexyl]methanol

C16H30N2O — CID 79640172

IUPAC[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(methylamino)cyclohexyl]methanol
SMILESCNC1(CO)CCCC(N2CCCC3CCCC32)C1
InChIInChI=1S/C16H30N2O/c1-17-16(12-19)9-3-7-14(11-16)18-10-4-6-13-5-2-8-15(13)18/h13-15,17,19H,2-12H2,1H3
InChIKeyMSVZEBFESJDLCU-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.14
Rot. Bonds3

About [3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(methylamino)cyclohexyl]methanol

[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(methylamino)cyclohexyl]methanol (PubChem CID 79640172) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is [3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(methylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(methylamino)cyclohexyl]methanol
PubChem CID79640172
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(methylamino)cyclohexyl]methanol
SMILESCNC1(CO)CCCC(N2CCCC3CCCC32)C1
InChIInChI=1S/C16H30N2O/c1-17-16(12-19)9-3-7-14(11-16)18-10-4-6-13-5-2-8-15(13)18/h13-15,17,19H,2-12H2,1H3
InChIKeyMSVZEBFESJDLCU-UHFFFAOYSA-N
XLogP2.14
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(methylamino)cyclopentyl]methanol
CID 79656071
[1-amino-3-(2-cyclopentylpyrrolidin-1-yl)cyclohexyl]methanol
CID 79640087
3-(2-cyclopentylpyrrolidin-1-yl)-1-(methylamino)cyclohexane-1-carbonitrile
CID 79625200
[3-(8-azaspiro[4.5]decan-8-yl)-1-(methylamino)cyclohexyl]methanol
CID 79633930
[3-cyclopropyl-1-(methylamino)cyclohexyl]methanol
CID 64623011
[1-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)cyclohexyl]methanol
CID 79633660
[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79635678
[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(ethylamino)cyclohexyl]methanol
CID 79640787
[3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(methylamino)cyclohexyl]methanol
CID 79640301
[3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(methylamino)cyclopentyl]methanol
CID 79656827
[1-(ethylamino)-3-(2-ethylpyrrolidin-1-yl)cyclohexyl]methanol
CID 79633807
[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-(methylamino)cyclopentyl]methanol
CID 81205829

Frequently Asked Questions

What is the IUPAC name of [3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(methylamino)cyclohexyl]methanol?
The IUPAC name of [3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(methylamino)cyclohexyl]methanol (CID 79640172) is [3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(methylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(methylamino)cyclohexyl]methanol?
The canonical SMILES for [3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(methylamino)cyclohexyl]methanol is CNC1(CO)CCCC(N2CCCC3CCCC32)C1.
What is the InChIKey of [3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(methylamino)cyclohexyl]methanol?
The InChIKey is MSVZEBFESJDLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-17-16(12-19)9-3-7-14(11-16)18-10-4-6-13-5-2-8-15(13)18/h13-15,17,19H,2-12H2,1H3.
What are the key properties of [3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(methylamino)cyclohexyl]methanol?
[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(methylamino)cyclohexyl]methanol has a molecular weight of 266.43 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 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)-1-(methylamino)cyclohexyl]methanol is sourced from PubChem (CID 79640172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).