4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol

C15H30N2O — CID 65322079

IUPAC4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol
SMILESCNC(C)(CO)CC(C)N1CCCC2CCCC21
InChIInChI=1S/C15H30N2O/c1-12(10-15(2,11-18)16-3)17-9-5-7-13-6-4-8-14(13)17/h12-14,16,18H,4-11H2,1-3H3
InChIKeyCSUKFZUFYDVCAY-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.00
Rot. Bonds5

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

4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol (PubChem CID 65322079) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol.

Molecular Properties

Compound Name4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol
PubChem CID65322079
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol
SMILESCNC(C)(CO)CC(C)N1CCCC2CCCC21
InChIInChI=1S/C15H30N2O/c1-12(10-15(2,11-18)16-3)17-9-5-7-13-6-4-8-14(13)17/h12-14,16,18H,4-11H2,1-3H3
InChIKeyCSUKFZUFYDVCAY-UHFFFAOYSA-N
XLogP2.00
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol?
The IUPAC name of 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol (CID 65322079) is 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol.
What is the SMILES notation for 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol?
The canonical SMILES for 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol is CNC(C)(CO)CC(C)N1CCCC2CCCC21.
What is the InChIKey of 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol?
The InChIKey is CSUKFZUFYDVCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-12(10-15(2,11-18)16-3)17-9-5-7-13-6-4-8-14(13)17/h12-14,16,18H,4-11H2,1-3H3.
What are the key properties of 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol?
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol has a molecular weight of 254.42 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol is sourced from PubChem (CID 65322079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).