(1S,9aS)-1-(azidomethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine

C10H18N4 — CID 11896968

IUPAC(1S,9aS)-1-(azidomethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
SMILES[N-]=[N+]=NC[C@@H]1CCCN2CCCC[C@@H]12
InChIInChI=1S/C10H18N4/c11-13-12-8-9-4-3-7-14-6-2-1-5-10(9)14/h9-10H,1-8H2/t9-,10-/m0/s1
InChIKeyLHJGHUKUYSBPSS-UWVGGRQHSA-N
MW194.28 g/mol
LogP2.56
Rot. Bonds2

About (1S,9aS)-1-(azidomethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine

(1S,9aS)-1-(azidomethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine (PubChem CID 11896968) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is (1S,9aS)-1-(azidomethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine.

Molecular Properties

Compound Name(1S,9aS)-1-(azidomethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
PubChem CID11896968
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name(1S,9aS)-1-(azidomethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
SMILES[N-]=[N+]=NC[C@@H]1CCCN2CCCC[C@@H]12
InChIInChI=1S/C10H18N4/c11-13-12-8-9-4-3-7-14-6-2-1-5-10(9)14/h9-10H,1-8H2/t9-,10-/m0/s1
InChIKeyLHJGHUKUYSBPSS-UWVGGRQHSA-N
XLogP2.56
TPSA52.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (1S,9aS)-1-(azidomethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 20980731
2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethanamine;dihydrochloride
CID 50944349
[(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanamine;hydrochloride
CID 119056746
[(8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol
CID 11019091
N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]propan-1-amine
CID 99805392
2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]acetic acid
CID 131186064
4-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyliminomethyl]phenol
CID 135869196
1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-methylpiperidin-4-amine
CID 143088221
[(2S)-2-(azetidin-1-yl)cyclohexyl]methanol
CID 58117124
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]ethanamine
CID 66523440
1-[[(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]pyrrolidine-2,5-dione
CID 91752858
[2-(azepan-1-yl)cyclopentyl]methanol
CID 106364698

Frequently Asked Questions

What is the IUPAC name of (1S,9aS)-1-(azidomethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
The IUPAC name of (1S,9aS)-1-(azidomethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine (CID 11896968) is (1S,9aS)-1-(azidomethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine.
What is the SMILES notation for (1S,9aS)-1-(azidomethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
The canonical SMILES for (1S,9aS)-1-(azidomethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine is [N-]=[N+]=NC[C@@H]1CCCN2CCCC[C@@H]12.
What is the InChIKey of (1S,9aS)-1-(azidomethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
The InChIKey is LHJGHUKUYSBPSS-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H18N4/c11-13-12-8-9-4-3-7-14-6-2-1-5-10(9)14/h9-10H,1-8H2/t9-,10-/m0/s1.
What are the key properties of (1S,9aS)-1-(azidomethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
(1S,9aS)-1-(azidomethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine has a molecular weight of 194.28 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,9aS)-1-(azidomethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine is sourced from PubChem (CID 11896968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).