2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-amine

C11H22N2 — CID 154351427

IUPAC2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-amine
SMILESCCN1CCC2C(N)CCCC2C1
InChIInChI=1S/C11H22N2/c1-2-13-7-6-10-9(8-13)4-3-5-11(10)12/h9-11H,2-8,12H2,1H3
InChIKeyMVIUWRRFLNBOOB-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.46
Rot. Bonds1

About 2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-amine

2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-amine (PubChem CID 154351427) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-amine.

Molecular Properties

Compound Name2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-amine
PubChem CID154351427
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-amine
SMILESCCN1CCC2C(N)CCCC2C1
InChIInChI=1S/C11H22N2/c1-2-13-7-6-10-9(8-13)4-3-5-11(10)12/h9-11H,2-8,12H2,1H3
InChIKeyMVIUWRRFLNBOOB-UHFFFAOYSA-N
XLogP1.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-amine with MolForge

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Related Compounds

(4aS,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-amine
CID 142824086
2-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 21427660
(3S)-1-ethylpyrrolidin-3-amine
CID 10678211
(3S,4R)-3-(aminomethyl)-1-ethylpiperidin-4-amine
CID 99942865
2-(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-1-(azetidin-1-yl)ethanone
CID 113414720
(3aR,7aS)-5-ethyl-2-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
CID 177154446
3-ethyl-1-[(4-ethylmorpholin-2-yl)methyl]piperidin-4-amine
CID 81460895
1-(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2,3-dimethylbutan-2-ol
CID 114496659
ethane;1-ethyl-3-(1-methylazetidin-3-yl)pyrrolidine
CID 170581839
(3aR,4S,7aR)-2-benzyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 98166877
(3aR,4R,7aS)-2-benzyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 82390798
2-[2-(4-ethylpiperazin-1-yl)ethyl]cyclopentan-1-amine
CID 79569635

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-amine?
The IUPAC name of 2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-amine (CID 154351427) is 2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-amine.
What is the SMILES notation for 2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-amine?
The canonical SMILES for 2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-amine is CCN1CCC2C(N)CCCC2C1.
What is the InChIKey of 2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-amine?
The InChIKey is MVIUWRRFLNBOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-2-13-7-6-10-9(8-13)4-3-5-11(10)12/h9-11H,2-8,12H2,1H3.
What are the key properties of 2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-amine?
2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-amine has a molecular weight of 182.31 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-amine is sourced from PubChem (CID 154351427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).