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

C17H33N3 — CID 102725752

IUPAC[4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-ethylpiperidin-4-yl]methanamine
SMILESCCN1CCC(CN)(N2CCC[C@H]3CCCC[C@H]32)CC1
InChIInChI=1S/C17H33N3/c1-2-19-12-9-17(14-18,10-13-19)20-11-5-7-15-6-3-4-8-16(15)20/h15-16H,2-14,18H2,1H3/t15-,16-/m1/s1
InChIKeyAMDURKNBLJAMJR-HZPDHXFCSA-N
MW279.47 g/mol
LogP2.45
Rot. Bonds3

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

[4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-ethylpiperidin-4-yl]methanamine (PubChem CID 102725752) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is [4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-ethylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-ethylpiperidin-4-yl]methanamine
PubChem CID102725752
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name[4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-ethylpiperidin-4-yl]methanamine
SMILESCCN1CCC(CN)(N2CCC[C@H]3CCCC[C@H]32)CC1
InChIInChI=1S/C17H33N3/c1-2-19-12-9-17(14-18,10-13-19)20-11-5-7-15-6-3-4-8-16(15)20/h15-16H,2-14,18H2,1H3/t15-,16-/m1/s1
InChIKeyAMDURKNBLJAMJR-HZPDHXFCSA-N
XLogP2.45
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-methylpiperidin-4-yl]methanamine
CID 43628102
[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)cyclohexyl]methanamine
CID 43409671
[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)cyclobutyl]methanamine
CID 79521878
[1-(2-cyclopentylpyrrolidin-1-yl)-4,4-dimethylcycloheptyl]methanamine
CID 65088575
[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-ethylcyclohexyl]methanamine
CID 82746499
[3-(2-cyclopentylpyrrolidin-1-yl)-1-cyclopropylpyrrolidin-3-yl]methanamine
CID 62977325
[1-ethyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)piperidin-4-yl]methanamine
CID 81199467
[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-methoxycyclohexyl]methanamine
CID 106872571
[4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-ethylazepan-4-yl]methanamine
CID 65078315
[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylthiolan-3-yl]methanamine
CID 79950832
[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine
CID 107429063
[4-(2,4-dimethylpiperidin-1-yl)-1-ethylazepan-4-yl]methanamine
CID 65076024

Frequently Asked Questions

What is the IUPAC name of [4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-ethylpiperidin-4-yl]methanamine?
The IUPAC name of [4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-ethylpiperidin-4-yl]methanamine (CID 102725752) is [4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-ethylpiperidin-4-yl]methanamine.
What is the SMILES notation for [4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-ethylpiperidin-4-yl]methanamine?
The canonical SMILES for [4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-ethylpiperidin-4-yl]methanamine is CCN1CCC(CN)(N2CCC[C@H]3CCCC[C@H]32)CC1.
What is the InChIKey of [4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-ethylpiperidin-4-yl]methanamine?
The InChIKey is AMDURKNBLJAMJR-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H33N3/c1-2-19-12-9-17(14-18,10-13-19)20-11-5-7-15-6-3-4-8-16(15)20/h15-16H,2-14,18H2,1H3/t15-,16-/m1/s1.
What are the key properties of [4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-ethylpiperidin-4-yl]methanamine?
[4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-ethylpiperidin-4-yl]methanamine has a molecular weight of 279.47 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-ethylpiperidin-4-yl]methanamine is sourced from PubChem (CID 102725752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).