6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3,5-dichloro-N-methylpyridin-2-amine

C15H21Cl2N3 — CID 102760209

IUPAC6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3,5-dichloro-N-methylpyridin-2-amine
SMILESCNc1nc(N2CCC[C@H]3CCCC[C@H]32)c(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2N3/c1-18-14-11(16)9-12(17)15(19-14)20-8-4-6-10-5-2-3-7-13(10)20/h9-10,13H,2-8H2,1H3,(H,18,19)/t10-,13-/m1/s1
InChIKeyLJSFEXWDCSXOJN-ZWNOBZJWSA-N
MW314.26 g/mol
LogP4.59
Rot. Bonds2

About 6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3,5-dichloro-N-methylpyridin-2-amine

6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3,5-dichloro-N-methylpyridin-2-amine (PubChem CID 102760209) has the molecular formula C15H21Cl2N3 and a molecular weight of 314.26 g/mol. Its IUPAC name is 6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3,5-dichloro-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3,5-dichloro-N-methylpyridin-2-amine
PubChem CID102760209
Molecular FormulaC15H21Cl2N3
Molecular Weight314.26 g/mol
Exact Mass313.11
IUPAC Name6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3,5-dichloro-N-methylpyridin-2-amine
SMILESCNc1nc(N2CCC[C@H]3CCCC[C@H]32)c(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2N3/c1-18-14-11(16)9-12(17)15(19-14)20-8-4-6-10-5-2-3-7-13(10)20/h9-10,13H,2-8H2,1H3,(H,18,19)/t10-,13-/m1/s1
InChIKeyLJSFEXWDCSXOJN-ZWNOBZJWSA-N
XLogP4.59
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3,5-dichloro-N-methylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dichloro-6-(2-ethylpyrrolidin-1-yl)-N-methylpyridin-2-amine
CID 102756425
3,5-dichloro-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpyridin-2-amine
CID 102758009
6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N,2,5-trimethylpyrimidin-4-amine
CID 102729117
6-(azepan-1-yl)-3,5-dichloro-N-methylpyridin-2-amine
CID 102755321
1-[3,5-dichloro-6-(methylamino)-2-pyridinyl]piperidin-4-ol
CID 102755349
3,5-dichloro-6-(2,3-dimethylthiomorpholin-4-yl)-N-methylpyridin-2-amine
CID 102760058
3,5-dichloro-N-methyl-6-(3-methylmorpholin-4-yl)pyridin-2-amine
CID 102756106
3,5-dichloro-N-methyl-6-(4-propylazepan-1-yl)pyridin-2-amine
CID 102758516
6-(2-cyclopentylpyrrolidin-1-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80984251
N-[[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-chloro-3-pyridinyl]methyl]ethanamine
CID 102728376
3,5-dichloro-N-methyl-6-(4-propylpiperidin-1-yl)pyridin-2-amine
CID 102757811
1-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide
CID 102757200

Frequently Asked Questions

What is the IUPAC name of 6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3,5-dichloro-N-methylpyridin-2-amine?
The IUPAC name of 6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3,5-dichloro-N-methylpyridin-2-amine (CID 102760209) is 6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3,5-dichloro-N-methylpyridin-2-amine.
What is the SMILES notation for 6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3,5-dichloro-N-methylpyridin-2-amine?
The canonical SMILES for 6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3,5-dichloro-N-methylpyridin-2-amine is CNc1nc(N2CCC[C@H]3CCCC[C@H]32)c(Cl)cc1Cl.
What is the InChIKey of 6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3,5-dichloro-N-methylpyridin-2-amine?
The InChIKey is LJSFEXWDCSXOJN-ZWNOBZJWSA-N. The full InChI is InChI=1S/C15H21Cl2N3/c1-18-14-11(16)9-12(17)15(19-14)20-8-4-6-10-5-2-3-7-13(10)20/h9-10,13H,2-8H2,1H3,(H,18,19)/t10-,13-/m1/s1.
What are the key properties of 6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3,5-dichloro-N-methylpyridin-2-amine?
6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3,5-dichloro-N-methylpyridin-2-amine has a molecular weight of 314.26 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3,5-dichloro-N-methylpyridin-2-amine is sourced from PubChem (CID 102760209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).