3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentan-1-ol

C14H26N2O — CID 81198941

IUPAC3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentan-1-ol
SMILESCN1CCCC2CN(C3CCC(O)C3)CCC21
InChIInChI=1S/C14H26N2O/c1-15-7-2-3-11-10-16(8-6-14(11)15)12-4-5-13(17)9-12/h11-14,17H,2-10H2,1H3
InChIKeyUBBXXWGPKZLTRL-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.32
Rot. Bonds1

About 3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentan-1-ol

3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentan-1-ol (PubChem CID 81198941) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentan-1-ol
PubChem CID81198941
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentan-1-ol
SMILESCN1CCCC2CN(C3CCC(O)C3)CCC21
InChIInChI=1S/C14H26N2O/c1-15-7-2-3-11-10-16(8-6-14(11)15)12-4-5-13(17)9-12/h11-14,17H,2-10H2,1H3
InChIKeyUBBXXWGPKZLTRL-UHFFFAOYSA-N
XLogP1.32
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentan-1-ol?
The IUPAC name of 3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentan-1-ol (CID 81198941) is 3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentan-1-ol.
What is the SMILES notation for 3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentan-1-ol?
The canonical SMILES for 3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentan-1-ol is CN1CCCC2CN(C3CCC(O)C3)CCC21.
What is the InChIKey of 3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentan-1-ol?
The InChIKey is UBBXXWGPKZLTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-15-7-2-3-11-10-16(8-6-14(11)15)12-4-5-13(17)9-12/h11-14,17H,2-10H2,1H3.
What are the key properties of 3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentan-1-ol?
3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentan-1-ol has a molecular weight of 238.37 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentan-1-ol is sourced from PubChem (CID 81198941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).