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

C17H32N2O — CID 103160150

IUPAC1-cyclopentyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-2-ol
SMILESCN1CCCC2CN(CC(O)CC3CCCC3)CCC21
InChIInChI=1S/C17H32N2O/c1-18-9-4-7-15-12-19(10-8-17(15)18)13-16(20)11-14-5-2-3-6-14/h14-17,20H,2-13H2,1H3
InChIKeyFFEYVOKPSSHPLQ-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.34
Rot. Bonds4

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

1-cyclopentyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-2-ol (PubChem CID 103160150) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-cyclopentyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-2-ol
PubChem CID103160150
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1-cyclopentyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-2-ol
SMILESCN1CCCC2CN(CC(O)CC3CCCC3)CCC21
InChIInChI=1S/C17H32N2O/c1-18-9-4-7-15-12-19(10-8-17(15)18)13-16(20)11-14-5-2-3-6-14/h14-17,20H,2-13H2,1H3
InChIKeyFFEYVOKPSSHPLQ-UHFFFAOYSA-N
XLogP2.34
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butoxy-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-2-ol
CID 107263942
ethyl 3-hydroxy-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butanoate
CID 82770662
1-(2-methoxyethylamino)-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-2-ol
CID 115475490
2-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanoic acid
CID 81198905
6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)hexan-3-ol
CID 106802468
5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-2-ol
CID 81198653
4,4-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-3-ol
CID 81200552
1-cyclopentyl-3-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol
CID 103160187
(3R)-1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidin-3-ol
CID 103160997
(3S)-1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidin-3-ol
CID 103160998
(E)-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)but-2-ene-1-thiol
CID 81206409
methyl 2-bromo-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanoate
CID 81199531

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-2-ol (CID 103160150) is 1-cyclopentyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-2-ol is CN1CCCC2CN(CC(O)CC3CCCC3)CCC21.
What is the InChIKey of 1-cyclopentyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-2-ol?
The InChIKey is FFEYVOKPSSHPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-18-9-4-7-15-12-19(10-8-17(15)18)13-16(20)11-14-5-2-3-6-14/h14-17,20H,2-13H2,1H3.
What are the key properties of 1-cyclopentyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-2-ol?
1-cyclopentyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-2-ol has a molecular weight of 280.46 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-2-ol is sourced from PubChem (CID 103160150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).