2-methyl-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium perchlorate

C10H20ClNO4 — CID 44887480

IUPAC2-methyl-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium perchlorate
SMILESCC1CC[NH+]2CCCCC2C1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C10H19N.ClHO4/c1-9-5-7-11-6-3-2-4-10(11)8-9;2-1(3,4)5/h9-10H,2-8H2,1H3;(H,2,3,4,5)
InChIKeyGLKVMHIGTMMDIZ-UHFFFAOYSA-N
MW253.73 g/mol
LogP-3.90
Rot. Bonds

About 2-methyl-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium perchlorate

2-methyl-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium perchlorate (PubChem CID 44887480) has the molecular formula C10H20ClNO4 and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-methyl-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium perchlorate.

Molecular Properties

Compound Name2-methyl-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium perchlorate
PubChem CID44887480
Molecular FormulaC10H20ClNO4
Molecular Weight253.73 g/mol
Exact Mass253.11
IUPAC Name2-methyl-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium perchlorate
SMILESCC1CC[NH+]2CCCCC2C1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C10H19N.ClHO4/c1-9-5-7-11-6-3-2-4-10(11)8-9;2-1(3,4)5/h9-10H,2-8H2,1H3;(H,2,3,4,5)
InChIKeyGLKVMHIGTMMDIZ-UHFFFAOYSA-N
XLogP-3.90
TPSA96.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 5-3.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium
CID 3758594
1-(3-methylcyclohexyl)pyrrolidin-1-ium hydroxide
CID 159786967
1-[(1R,3R)-3-methylcyclohexyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium
CID 7410064
1-methyl-4-[(1S,3R)-3-methylcyclopentyl]piperazine-1,4-diium
CID 7448472
4-[(1R,3R)-3-methylcyclopentyl]morpholin-4-ium
CID 7448485
4-[(1R,3S)-3-methylcyclopentyl]morpholin-4-ium
CID 7448487
4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium-1-carbaldehyde
CID 6938555
1-cyclooctyl-4-methylpiperazine-1,4-diium
CID 6938601
1-[(2-chlorophenyl)methyl]-4-[(1R,3R)-3-methylcyclohexyl]piperazine-1,4-diium
CID 7108968
(1-cyclopentylpiperidin-1-ium-4-yl)azanium
CID 7183175
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazine-1,4-diium
CID 7354705
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[(1S,3R)-3-methylcyclohexyl]piperazine-1,4-diium
CID 7354703

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium perchlorate?
The IUPAC name of 2-methyl-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium perchlorate (CID 44887480) is 2-methyl-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium perchlorate.
What is the SMILES notation for 2-methyl-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium perchlorate?
The canonical SMILES for 2-methyl-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium perchlorate is CC1CC[NH+]2CCCCC2C1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 2-methyl-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium perchlorate?
The InChIKey is GLKVMHIGTMMDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N.ClHO4/c1-9-5-7-11-6-3-2-4-10(11)8-9;2-1(3,4)5/h9-10H,2-8H2,1H3;(H,2,3,4,5).
What are the key properties of 2-methyl-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium perchlorate?
2-methyl-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium perchlorate has a molecular weight of 253.73 g/mol, XLogP of -3.90, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium perchlorate is sourced from PubChem (CID 44887480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).