(4S,4aS,8aR)-4-(pyridin-3-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol

C15H22N2O — CID 129388327

IUPAC(4S,4aS,8aR)-4-(pyridin-3-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol
SMILESO[C@@]12CCCC[C@@H]1CCC[C@@H]2Nc1cccnc1
InChIInChI=1S/C15H22N2O/c18-15-9-2-1-5-12(15)6-3-8-14(15)17-13-7-4-10-16-11-13/h4,7,10-12,14,17-18H,1-3,5-6,8-9H2/t12-,14+,15+/m1/s1
InChIKeyNSUFSRJYAQOZOR-SNPRPXQTSA-N
MW246.35 g/mol
LogP2.97
Rot. Bonds2

About (4S,4aS,8aR)-4-(pyridin-3-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol

(4S,4aS,8aR)-4-(pyridin-3-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol (PubChem CID 129388327) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (4S,4aS,8aR)-4-(pyridin-3-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol.

Molecular Properties

Compound Name(4S,4aS,8aR)-4-(pyridin-3-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol
PubChem CID129388327
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(4S,4aS,8aR)-4-(pyridin-3-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol
SMILESO[C@@]12CCCC[C@@H]1CCC[C@@H]2Nc1cccnc1
InChIInChI=1S/C15H22N2O/c18-15-9-2-1-5-12(15)6-3-8-14(15)17-13-7-4-10-16-11-13/h4,7,10-12,14,17-18H,1-3,5-6,8-9H2/t12-,14+,15+/m1/s1
InChIKeyNSUFSRJYAQOZOR-SNPRPXQTSA-N
XLogP2.97
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4S,4aS,8aR)-4-(pyridin-3-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol with MolForge

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Launch Full Analysis

Related Compounds

N-cyclopropylpyridin-3-amine
CID 11297993
(4S,4aS,8aR)-4-(1,3-benzodioxol-5-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol
CID 52911953
(4aR,8aR)-4-(2,3-difluoroanilino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol
CID 52911661
(4aR,8aR)-4-(2,4,6-trifluoroanilino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol
CID 52911605
N-(3-ethoxyspiro[3.5]nonan-1-yl)pyridin-3-amine
CID 65170359
(4R,4aR,8aR)-4-(1H-indol-4-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol
CID 129388129
N-(oxolan-3-yl)pyridin-3-amine
CID 63331715
N-(1-cyclooctylpiperidin-4-yl)pyridin-3-amine
CID 141369101
N-pyridin-3-ylcyclopentanecarbothioamide
CID 88634071
N-(2-tert-butylcyclohexyl)pyridin-3-amine
CID 43094868
2-cyclopentyl-1-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone
CID 95107482
2-cyclopentyl-1-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone
CID 95107481

Frequently Asked Questions

What is the IUPAC name of (4S,4aS,8aR)-4-(pyridin-3-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol?
The IUPAC name of (4S,4aS,8aR)-4-(pyridin-3-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol (CID 129388327) is (4S,4aS,8aR)-4-(pyridin-3-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol.
What is the SMILES notation for (4S,4aS,8aR)-4-(pyridin-3-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol?
The canonical SMILES for (4S,4aS,8aR)-4-(pyridin-3-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol is O[C@@]12CCCC[C@@H]1CCC[C@@H]2Nc1cccnc1.
What is the InChIKey of (4S,4aS,8aR)-4-(pyridin-3-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol?
The InChIKey is NSUFSRJYAQOZOR-SNPRPXQTSA-N. The full InChI is InChI=1S/C15H22N2O/c18-15-9-2-1-5-12(15)6-3-8-14(15)17-13-7-4-10-16-11-13/h4,7,10-12,14,17-18H,1-3,5-6,8-9H2/t12-,14+,15+/m1/s1.
What are the key properties of (4S,4aS,8aR)-4-(pyridin-3-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol?
(4S,4aS,8aR)-4-(pyridin-3-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol has a molecular weight of 246.35 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,4aS,8aR)-4-(pyridin-3-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol is sourced from PubChem (CID 129388327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).