(2S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine

C9H18N2 — CID 12783916

IUPAC(2S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine
SMILESN[C@H]1CCN2CCCC[C@@H]2C1
InChIInChI=1S/C9H18N2/c10-8-4-6-11-5-2-1-3-9(11)7-8/h8-9H,1-7,10H2/t8-,9+/m0/s1
InChIKeyQTYYLKWVPVUNET-DTWKUNHWSA-N
MW154.26 g/mol
LogP0.96
Rot. Bonds

About (2S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine

(2S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine (PubChem CID 12783916) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (2S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine.

Molecular Properties

Compound Name(2S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine
PubChem CID12783916
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(2S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine
SMILESN[C@H]1CCN2CCCC[C@@H]2C1
InChIInChI=1S/C9H18N2/c10-8-4-6-11-5-2-1-3-9(11)7-8/h8-9H,1-7,10H2/t8-,9+/m0/s1
InChIKeyQTYYLKWVPVUNET-DTWKUNHWSA-N
XLogP0.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine with MolForge

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Related Compounds

(2R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine
CID 51670154
3-(azocan-1-yl)cyclobutan-1-amine
CID 80561417
3-(azonan-1-yl)cyclobutan-1-amine
CID 130631518
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclohexan-1-amine
CID 79469057
(3-piperidin-1-ylcycloheptyl)methanamine
CID 83863354
(3R)-3-piperazin-1-ylcyclohexan-1-amine
CID 143940037
1-cyclohexylazocane
CID 23151203
1-cyclooctylpyrrolidine
CID 23277874
1-cyclooctylpiperidine
CID 89210756
3-(4-methylpiperidin-1-yl)cyclopentan-1-amine
CID 79465982
(3R)-1-cyclopentylpyrrolidin-3-amine;hydrochloride
CID 90422333
4-(4-piperidin-1-ylpiperidin-1-yl)cyclohexan-1-amine
CID 62806389

Frequently Asked Questions

What is the IUPAC name of (2S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine?
The IUPAC name of (2S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine (CID 12783916) is (2S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine.
What is the SMILES notation for (2S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine?
The canonical SMILES for (2S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine is N[C@H]1CCN2CCCC[C@@H]2C1.
What is the InChIKey of (2S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine?
The InChIKey is QTYYLKWVPVUNET-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H18N2/c10-8-4-6-11-5-2-1-3-9(11)7-8/h8-9H,1-7,10H2/t8-,9+/m0/s1.
What are the key properties of (2S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine?
(2S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine has a molecular weight of 154.26 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine is sourced from PubChem (CID 12783916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).