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

C16H25N3 — CID 102729180

IUPAC5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-ethylpyridin-3-amine
SMILESCCNc1cncc(N2CCC[C@H]3CCCC[C@H]32)c1
InChIInChI=1S/C16H25N3/c1-2-18-14-10-15(12-17-11-14)19-9-5-7-13-6-3-4-8-16(13)19/h10-13,16,18H,2-9H2,1H3/t13-,16-/m1/s1
InChIKeyIKVZRYJKOGKKKE-CZUORRHYSA-N
MW259.40 g/mol
LogP3.67
Rot. Bonds3

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

5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-ethylpyridin-3-amine (PubChem CID 102729180) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-ethylpyridin-3-amine.

Molecular Properties

Compound Name5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-ethylpyridin-3-amine
PubChem CID102729180
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-ethylpyridin-3-amine
SMILESCCNc1cncc(N2CCC[C@H]3CCCC[C@H]32)c1
InChIInChI=1S/C16H25N3/c1-2-18-14-10-15(12-17-11-14)19-9-5-7-13-6-3-4-8-16(13)19/h10-13,16,18H,2-9H2,1H3/t13-,16-/m1/s1
InChIKeyIKVZRYJKOGKKKE-CZUORRHYSA-N
XLogP3.67
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-ethylpyridin-3-amine?
The IUPAC name of 5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-ethylpyridin-3-amine (CID 102729180) is 5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-ethylpyridin-3-amine.
What is the SMILES notation for 5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-ethylpyridin-3-amine?
The canonical SMILES for 5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-ethylpyridin-3-amine is CCNc1cncc(N2CCC[C@H]3CCCC[C@H]32)c1.
What is the InChIKey of 5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-ethylpyridin-3-amine?
The InChIKey is IKVZRYJKOGKKKE-CZUORRHYSA-N. The full InChI is InChI=1S/C16H25N3/c1-2-18-14-10-15(12-17-11-14)19-9-5-7-13-6-3-4-8-16(13)19/h10-13,16,18H,2-9H2,1H3/t13-,16-/m1/s1.
What are the key properties of 5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-ethylpyridin-3-amine?
5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-ethylpyridin-3-amine has a molecular weight of 259.40 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-ethylpyridin-3-amine is sourced from PubChem (CID 102729180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).