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

C10H20N+ — CID 3758594

IUPAC2-methyl-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium
SMILESCC1CC[NH+]2CCCCC2C1
InChIInChI=1S/C10H19N/c1-9-5-7-11-6-3-2-4-10(11)8-9/h9-10H,2-8H2,1H3/p+1
InChIKeyQCSLVVGMBNXNRT-UHFFFAOYSA-O
MW154.28 g/mol
LogP0.85
Rot. Bonds

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

2-methyl-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium (PubChem CID 3758594) has the molecular formula C10H20N+ and a molecular weight of 154.28 g/mol. Its IUPAC name is 2-methyl-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium.

Molecular Properties

Compound Name2-methyl-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium
PubChem CID3758594
Molecular FormulaC10H20N+
Molecular Weight154.28 g/mol
Exact Mass154.16
IUPAC Name2-methyl-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium
SMILESCC1CC[NH+]2CCCCC2C1
InChIInChI=1S/C10H19N/c1-9-5-7-11-6-3-2-4-10(11)8-9/h9-10H,2-8H2,1H3/p+1
InChIKeyQCSLVVGMBNXNRT-UHFFFAOYSA-O
XLogP0.85
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.28
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2-methyl-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium perchlorate
CID 44887480
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
1,4-dicyclohexylpiperazine-1,4-diium
CID 4743451
(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?
The IUPAC name of 2-methyl-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium (CID 3758594) is 2-methyl-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium.
What is the SMILES notation for 2-methyl-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium?
The canonical SMILES for 2-methyl-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium is CC1CC[NH+]2CCCCC2C1.
What is the InChIKey of 2-methyl-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium?
The InChIKey is QCSLVVGMBNXNRT-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H19N/c1-9-5-7-11-6-3-2-4-10(11)8-9/h9-10H,2-8H2,1H3/p+1.
What are the key properties of 2-methyl-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium?
2-methyl-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium has a molecular weight of 154.28 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 0 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 is sourced from PubChem (CID 3758594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).