2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethanamine;hydrochloride

C11H23ClN2 — CID 130157372

IUPAC2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethanamine;hydrochloride
SMILESCl.NCCN1CCC2CCCCC2C1
InChIInChI=1S/C11H22N2.ClH/c12-6-8-13-7-5-10-3-1-2-4-11(10)9-13;/h10-11H,1-9,12H2;1H
InChIKeyYSVFRMLOEZWUFF-UHFFFAOYSA-N
MW218.77 g/mol
LogP1.88
Rot. Bonds2

About 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethanamine;hydrochloride

2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethanamine;hydrochloride (PubChem CID 130157372) has the molecular formula C11H23ClN2 and a molecular weight of 218.77 g/mol. Its IUPAC name is 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethanamine;hydrochloride
PubChem CID130157372
Molecular FormulaC11H23ClN2
Molecular Weight218.77 g/mol
Exact Mass218.15
IUPAC Name2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethanamine;hydrochloride
SMILESCl.NCCN1CCC2CCCCC2C1
InChIInChI=1S/C11H22N2.ClH/c12-6-8-13-7-5-10-3-1-2-4-11(10)9-13;/h10-11H,1-9,12H2;1H
InChIKeyYSVFRMLOEZWUFF-UHFFFAOYSA-N
XLogP1.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.77
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethanamine;hydrochloride with MolForge

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Related Compounds

2-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanamine
CID 98010112
2-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 58878293
2-[4-(1-methylpyrrolidin-3-yl)piperidin-1-yl]ethanamine
CID 116962889
2-(3-azabicyclo[3.2.0]heptan-3-yl)ethanamine
CID 55290906
2-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 67672486
(3-cyclopropylpyrrolidin-1-yl)methanamine
CID 126583276
5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-amino-2-methylpentan-2-ol
CID 64818657
2-[(3S)-3-fluoropyrrolidin-1-yl]ethanamine
CID 67408508
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(cyclopropylmethyl)ethanamine
CID 55024318
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methylbutan-1-amine
CID 60841189
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-methylpropan-2-amine
CID 61267047
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)cyclohexan-1-amine
CID 60851063

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethanamine;hydrochloride (CID 130157372) is 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethanamine;hydrochloride is Cl.NCCN1CCC2CCCCC2C1.
What is the InChIKey of 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethanamine;hydrochloride?
The InChIKey is YSVFRMLOEZWUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2.ClH/c12-6-8-13-7-5-10-3-1-2-4-11(10)9-13;/h10-11H,1-9,12H2;1H.
What are the key properties of 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethanamine;hydrochloride?
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethanamine;hydrochloride has a molecular weight of 218.77 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethanamine;hydrochloride is sourced from PubChem (CID 130157372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).