N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-imidazol-1-yl-N-methylethanamine

C16H28N4 — CID 118775991

IUPACN-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-imidazol-1-yl-N-methylethanamine
SMILESCN(CCn1ccnc1)C[C@@H]1CCCN2CCCC[C@H]12
InChIInChI=1S/C16H28N4/c1-18(11-12-19-10-7-17-14-19)13-15-5-4-9-20-8-3-2-6-16(15)20/h7,10,14-16H,2-6,8-9,11-13H2,1H3/t15-,16+/m0/s1
InChIKeyQRFQFXVZQFIYJY-JKSUJKDBSA-N
MW276.43 g/mol
LogP2.08
Rot. Bonds5

About N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-imidazol-1-yl-N-methylethanamine

N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-imidazol-1-yl-N-methylethanamine (PubChem CID 118775991) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-imidazol-1-yl-N-methylethanamine.

Molecular Properties

Compound NameN-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-imidazol-1-yl-N-methylethanamine
PubChem CID118775991
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-imidazol-1-yl-N-methylethanamine
SMILESCN(CCn1ccnc1)C[C@@H]1CCCN2CCCC[C@H]12
InChIInChI=1S/C16H28N4/c1-18(11-12-19-10-7-17-14-19)13-15-5-4-9-20-8-3-2-6-16(15)20/h7,10,14-16H,2-6,8-9,11-13H2,1H3/t15-,16+/m0/s1
InChIKeyQRFQFXVZQFIYJY-JKSUJKDBSA-N
XLogP2.08
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-imidazol-1-yl-N-methylethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-imidazol-1-yl-N-methylethanamine?
The IUPAC name of N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-imidazol-1-yl-N-methylethanamine (CID 118775991) is N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-imidazol-1-yl-N-methylethanamine.
What is the SMILES notation for N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-imidazol-1-yl-N-methylethanamine?
The canonical SMILES for N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-imidazol-1-yl-N-methylethanamine is CN(CCn1ccnc1)C[C@@H]1CCCN2CCCC[C@H]12.
What is the InChIKey of N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-imidazol-1-yl-N-methylethanamine?
The InChIKey is QRFQFXVZQFIYJY-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H28N4/c1-18(11-12-19-10-7-17-14-19)13-15-5-4-9-20-8-3-2-6-16(15)20/h7,10,14-16H,2-6,8-9,11-13H2,1H3/t15-,16+/m0/s1.
What are the key properties of N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-imidazol-1-yl-N-methylethanamine?
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-imidazol-1-yl-N-methylethanamine has a molecular weight of 276.43 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-imidazol-1-yl-N-methylethanamine is sourced from PubChem (CID 118775991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).