1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-amine

C9H18N2 — CID 135184580

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-amine
SMILESNC1CCC2CNCCC2C1
InChIInChI=1S/C9H18N2/c10-9-2-1-8-6-11-4-3-7(8)5-9/h7-9,11H,1-6,10H2
InChIKeyKLDZUQWWMQALFG-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.72
Rot. Bonds

About 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-amine

1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-amine (PubChem CID 135184580) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-amine.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-amine
PubChem CID135184580
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-amine
SMILESNC1CCC2CNCCC2C1
InChIInChI=1S/C9H18N2/c10-9-2-1-8-6-11-4-3-7(8)5-9/h7-9,11H,1-6,10H2
InChIKeyKLDZUQWWMQALFG-UHFFFAOYSA-N
XLogP0.72
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 ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-amine;hydrochloride
CID 135184579
1,2,3,4,4a,5,6,7,8,8a-decahydro-2,6-naphthyridine
CID 5255831
3-cyclopropylpyrrolidine;hydrochloride
CID 162517794
3-(3-aminocyclopentyl)cyclopentan-1-amine;methane
CID 160598150
(4aR,6R,8aR)-6-bromo-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
CID 11887489
(1S,3R,6R)-bicyclo[4.1.0]heptan-3-amine
CID 125040803
bicyclo[3.2.0]heptan-3-amine
CID 53402094
(3aS,5S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine
CID 55281345
(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
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-ylmethylphosphonic acid
CID 174300557
(4aR,9aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[c]pyridine
CID 92720083

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-amine?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-amine (CID 135184580) is 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-amine.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-amine?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-amine is NC1CCC2CNCCC2C1.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-amine?
The InChIKey is KLDZUQWWMQALFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c10-9-2-1-8-6-11-4-3-7(8)5-9/h7-9,11H,1-6,10H2.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-amine?
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-amine has a molecular weight of 154.26 g/mol, XLogP of 0.72, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-amine is sourced from PubChem (CID 135184580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).