1-(3-methylcyclohexyl)pyrrolidin-1-ium hydroxide

C11H23NO — CID 159786967

IUPAC1-(3-methylcyclohexyl)pyrrolidin-1-ium hydroxide
SMILESCC1CCCC([NH+]2CCCC2)C1.[OH-]
InChIInChI=1S/C11H21N.H2O/c1-10-5-4-6-11(9-10)12-7-2-3-8-12;/h10-11H,2-9H2,1H3;1H2
InChIKeyNIBMWOFFQMRPGO-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.07
Rot. Bonds1

About 1-(3-methylcyclohexyl)pyrrolidin-1-ium hydroxide

1-(3-methylcyclohexyl)pyrrolidin-1-ium hydroxide (PubChem CID 159786967) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-(3-methylcyclohexyl)pyrrolidin-1-ium hydroxide.

Molecular Properties

Compound Name1-(3-methylcyclohexyl)pyrrolidin-1-ium hydroxide
PubChem CID159786967
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-(3-methylcyclohexyl)pyrrolidin-1-ium hydroxide
SMILESCC1CCCC([NH+]2CCCC2)C1.[OH-]
InChIInChI=1S/C11H21N.H2O/c1-10-5-4-6-11(9-10)12-7-2-3-8-12;/h10-11H,2-9H2,1H3;1H2
InChIKeyNIBMWOFFQMRPGO-UHFFFAOYSA-N
XLogP1.07
TPSA34.44 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1R,3R)-3-methylcyclohexyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium
CID 7410064
2-methyl-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium
CID 3758594
2-methyl-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium perchlorate
CID 44887480
4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium-1-carbaldehyde
CID 6938555
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
(1R)-1,3-dimethylcyclohexane
CID 12594306
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
4-(4-bromophenyl)-1-[(1S,3S)-3-methylcyclohexyl]piperidin-1-ium-4-ol
CID 6962748
1-[(1S,3R)-3-methylcyclohexyl]-4-[(2-methylphenyl)methyl]piperazine-1,4-diium
CID 7109025

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclohexyl)pyrrolidin-1-ium hydroxide?
The IUPAC name of 1-(3-methylcyclohexyl)pyrrolidin-1-ium hydroxide (CID 159786967) is 1-(3-methylcyclohexyl)pyrrolidin-1-ium hydroxide.
What is the SMILES notation for 1-(3-methylcyclohexyl)pyrrolidin-1-ium hydroxide?
The canonical SMILES for 1-(3-methylcyclohexyl)pyrrolidin-1-ium hydroxide is CC1CCCC([NH+]2CCCC2)C1.[OH-].
What is the InChIKey of 1-(3-methylcyclohexyl)pyrrolidin-1-ium hydroxide?
The InChIKey is NIBMWOFFQMRPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N.H2O/c1-10-5-4-6-11(9-10)12-7-2-3-8-12;/h10-11H,2-9H2,1H3;1H2.
What are the key properties of 1-(3-methylcyclohexyl)pyrrolidin-1-ium hydroxide?
1-(3-methylcyclohexyl)pyrrolidin-1-ium hydroxide has a molecular weight of 185.31 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclohexyl)pyrrolidin-1-ium hydroxide is sourced from PubChem (CID 159786967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).