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

C16H32N2 — CID 102728565

IUPAC2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-ethylpentan-1-amine
SMILESCCCC(CNCC)N1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C16H32N2/c1-3-8-15(13-17-4-2)18-12-7-10-14-9-5-6-11-16(14)18/h14-17H,3-13H2,1-2H3/t14-,15?,16-/m1/s1
InChIKeyMXNKHBRVURONRG-YTPLPTRZSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds6

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

2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-ethylpentan-1-amine (PubChem CID 102728565) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-ethylpentan-1-amine.

Molecular Properties

Compound Name2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-ethylpentan-1-amine
PubChem CID102728565
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-ethylpentan-1-amine
SMILESCCCC(CNCC)N1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C16H32N2/c1-3-8-15(13-17-4-2)18-12-7-10-14-9-5-6-11-16(14)18/h14-17H,3-13H2,1-2H3/t14-,15?,16-/m1/s1
InChIKeyMXNKHBRVURONRG-YTPLPTRZSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Launch Full Analysis

Related Compounds

2-(2-cyclopentylpyrrolidin-1-yl)-N-ethylbutan-1-amine
CID 62431511
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 83054886
N-ethyl-2-(2-methylpyrrolidin-1-yl)pentan-1-amine
CID 83043110
N-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pentyl]cyclopropanamine
CID 83055066
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-ethylpentan-1-amine
CID 83054122
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-methoxy-N-propylpropan-1-amine
CID 103227390
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-propan-2-ylbutan-1-amine
CID 62432597
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-ethylheptan-4-amine
CID 102725992
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)nonan-1-amine
CID 43628091
2-(2-cyclopentylpyrrolidin-1-yl)octan-1-amine
CID 63465595
N-ethyl-2-(3-ethylpiperidin-1-yl)pentan-1-amine
CID 83054457
N-methyl-2-(2-methylpiperidin-1-yl)pentan-1-amine
CID 83043313

Frequently Asked Questions

What is the IUPAC name of 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-ethylpentan-1-amine?
The IUPAC name of 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-ethylpentan-1-amine (CID 102728565) is 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-ethylpentan-1-amine.
What is the SMILES notation for 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-ethylpentan-1-amine?
The canonical SMILES for 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-ethylpentan-1-amine is CCCC(CNCC)N1CCC[C@H]2CCCC[C@H]21.
What is the InChIKey of 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-ethylpentan-1-amine?
The InChIKey is MXNKHBRVURONRG-YTPLPTRZSA-N. The full InChI is InChI=1S/C16H32N2/c1-3-8-15(13-17-4-2)18-12-7-10-14-9-5-6-11-16(14)18/h14-17H,3-13H2,1-2H3/t14-,15?,16-/m1/s1.
What are the key properties of 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-ethylpentan-1-amine?
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-ethylpentan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-ethylpentan-1-amine is sourced from PubChem (CID 102728565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).