(4aS,6R,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-amine

C9H18N2 — CID 95396663

IUPAC(4aS,6R,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-amine
SMILESN[C@@H]1CC[C@@H]2NCCC[C@H]2C1
InChIInChI=1S/C9H18N2/c10-8-3-4-9-7(6-8)2-1-5-11-9/h7-9,11H,1-6,10H2/t7-,8+,9-/m0/s1
InChIKeyJZFOPNSQKQOMJZ-YIZRAAEISA-N
MW154.26 g/mol
LogP0.87
Rot. Bonds

About (4aS,6R,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-amine

(4aS,6R,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-amine (PubChem CID 95396663) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (4aS,6R,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-amine.

Molecular Properties

Compound Name(4aS,6R,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-amine
PubChem CID95396663
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(4aS,6R,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-amine
SMILESN[C@@H]1CC[C@@H]2NCCC[C@H]2C1
InChIInChI=1S/C9H18N2/c10-8-3-4-9-7(6-8)2-1-5-11-9/h7-9,11H,1-6,10H2/t7-,8+,9-/m0/s1
InChIKeyJZFOPNSQKQOMJZ-YIZRAAEISA-N
XLogP0.87
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4aS,6R,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-amine with MolForge

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Launch Full Analysis

Related Compounds

4-pyrrolidin-2-ylcyclohexan-1-amine
CID 83262531
6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride
CID 155858923
2-azabicyclo[4.1.0]heptane;molecular hydrogen
CID 144713678
2-cyclopentylpiperidin-4-amine
CID 83816084
6-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 43185318
2-cyclopentylpyrrolidine
CID 4031549
2-cycloheptylpyrrolidine;hydrochloride
CID 115023231
(3aS,5S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine
CID 55281345
(5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[b]azepine
CID 92720077
(3aR,5S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine
CID 55281501
(3aS,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine
CID 95396709
2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine;ethane
CID 142196659

Frequently Asked Questions

What is the IUPAC name of (4aS,6R,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-amine?
The IUPAC name of (4aS,6R,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-amine (CID 95396663) is (4aS,6R,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-amine.
What is the SMILES notation for (4aS,6R,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-amine?
The canonical SMILES for (4aS,6R,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-amine is N[C@@H]1CC[C@@H]2NCCC[C@H]2C1.
What is the InChIKey of (4aS,6R,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-amine?
The InChIKey is JZFOPNSQKQOMJZ-YIZRAAEISA-N. The full InChI is InChI=1S/C9H18N2/c10-8-3-4-9-7(6-8)2-1-5-11-9/h7-9,11H,1-6,10H2/t7-,8+,9-/m0/s1.
What are the key properties of (4aS,6R,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-amine?
(4aS,6R,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-amine has a molecular weight of 154.26 g/mol, XLogP of 0.87, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,6R,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-amine is sourced from PubChem (CID 95396663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).