(4aS,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-amine

C10H20N2 — CID 142824086

IUPAC(4aS,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-amine
SMILESCN1CC[C@@H]2C(N)CCC[C@@H]2C1
InChIInChI=1S/C10H20N2/c1-12-6-5-9-8(7-12)3-2-4-10(9)11/h8-10H,2-7,11H2,1H3/t8-,9+,10?/m1/s1
InChIKeyZLNQAUZIIMMMAO-ZDGBYWQASA-N
MW168.28 g/mol
LogP1.07
Rot. Bonds

About (4aS,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-amine

(4aS,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-amine (PubChem CID 142824086) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (4aS,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-amine.

Molecular Properties

Compound Name(4aS,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-amine
PubChem CID142824086
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(4aS,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-amine
SMILESCN1CC[C@@H]2C(N)CCC[C@@H]2C1
InChIInChI=1S/C10H20N2/c1-12-6-5-9-8(7-12)3-2-4-10(9)11/h8-10H,2-7,11H2,1H3/t8-,9+,10?/m1/s1
InChIKeyZLNQAUZIIMMMAO-ZDGBYWQASA-N
XLogP1.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4aS,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-amine with MolForge

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Related Compounds

2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-amine
CID 154351427
(1S,5S)-3-methyl-3-azabicyclo[3.3.1]nonan-9-amine
CID 98086940
10-methyl-10-azatricyclo[6.4.1.04,13]tridecane
CID 145098921
2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 12847769
(3aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 142336980
2-methyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine
CID 130417829
ethane;10-methyl-10-azatricyclo[6.4.1.04,13]tridecane
CID 145098920
(4R)-1-methylpiperidine-3,4-diamine
CID 145189555
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,6-diamine
CID 67294026
cis-(1S,2R)-2-cyclobutylcyclobutan-1-amine
CID 99715514
ethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 91339086
(4aR,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-ol
CID 130920583

Frequently Asked Questions

What is the IUPAC name of (4aS,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-amine?
The IUPAC name of (4aS,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-amine (CID 142824086) is (4aS,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-amine.
What is the SMILES notation for (4aS,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-amine?
The canonical SMILES for (4aS,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-amine is CN1CC[C@@H]2C(N)CCC[C@@H]2C1.
What is the InChIKey of (4aS,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-amine?
The InChIKey is ZLNQAUZIIMMMAO-ZDGBYWQASA-N. The full InChI is InChI=1S/C10H20N2/c1-12-6-5-9-8(7-12)3-2-4-10(9)11/h8-10H,2-7,11H2,1H3/t8-,9+,10?/m1/s1.
What are the key properties of (4aS,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-amine?
(4aS,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-amine has a molecular weight of 168.28 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-amine is sourced from PubChem (CID 142824086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).