1-cyclohexyl-1-(2-methylpropyl)pyrrolidin-1-ium hydroxide

C14H29NO — CID 70019231

IUPAC1-cyclohexyl-1-(2-methylpropyl)pyrrolidin-1-ium hydroxide
SMILESCC(C)C[N+]1(C2CCCCC2)CCCC1.[OH-]
InChIInChI=1S/C14H28N.H2O/c1-13(2)12-15(10-6-7-11-15)14-8-4-3-5-9-14;/h13-14H,3-12H2,1-2H3;1H2/q+1;/p-1
InChIKeyABTHNWJXPOJNME-UHFFFAOYSA-M
MW227.39 g/mol
LogP3.41
Rot. Bonds3

About 1-cyclohexyl-1-(2-methylpropyl)pyrrolidin-1-ium hydroxide

1-cyclohexyl-1-(2-methylpropyl)pyrrolidin-1-ium hydroxide (PubChem CID 70019231) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-cyclohexyl-1-(2-methylpropyl)pyrrolidin-1-ium hydroxide.

Molecular Properties

Compound Name1-cyclohexyl-1-(2-methylpropyl)pyrrolidin-1-ium hydroxide
PubChem CID70019231
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-cyclohexyl-1-(2-methylpropyl)pyrrolidin-1-ium hydroxide
SMILESCC(C)C[N+]1(C2CCCCC2)CCCC1.[OH-]
InChIInChI=1S/C14H28N.H2O/c1-13(2)12-15(10-6-7-11-15)14-8-4-3-5-9-14;/h13-14H,3-12H2,1-2H3;1H2/q+1;/p-1
InChIKeyABTHNWJXPOJNME-UHFFFAOYSA-M
XLogP3.41
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 1-cyclohexyl-1-(2-methylpropyl)pyrrolidin-1-ium hydroxide 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-butyl-1-cyclopentylpyrrolidin-1-ium hydroxide
CID 22995148
1-butyl-1-cyclohexylpyrrolidin-1-ium iodide
CID 22995118
1-ethyl-1-[4-(1-ethylpiperidin-1-ium-1-yl)cyclohexyl]piperidin-1-ium
CID 169210130
1-cyclodecyl-1-methylpyrrolidin-1-ium
CID 20725318
1-cyclooct-4-en-1-yl-1-ethylpiperidin-1-ium
CID 174233536
1-benzyl-1-cyclohexylpyrrolidin-1-ium
CID 22995134
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
1-cyclopentyl-1-methylpyrrolidin-1-ium iodide
CID 118976632
1,2-bis(2-methylpropyl)cycloheptane
CID 175310859
2,2-difluoro-N-(2-methylpropyl)cyclopentan-1-amine
CID 130736613
4-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium
CID 90395187
2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159692112

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-(2-methylpropyl)pyrrolidin-1-ium hydroxide?
The IUPAC name of 1-cyclohexyl-1-(2-methylpropyl)pyrrolidin-1-ium hydroxide (CID 70019231) is 1-cyclohexyl-1-(2-methylpropyl)pyrrolidin-1-ium hydroxide.
What is the SMILES notation for 1-cyclohexyl-1-(2-methylpropyl)pyrrolidin-1-ium hydroxide?
The canonical SMILES for 1-cyclohexyl-1-(2-methylpropyl)pyrrolidin-1-ium hydroxide is CC(C)C[N+]1(C2CCCCC2)CCCC1.[OH-].
What is the InChIKey of 1-cyclohexyl-1-(2-methylpropyl)pyrrolidin-1-ium hydroxide?
The InChIKey is ABTHNWJXPOJNME-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H28N.H2O/c1-13(2)12-15(10-6-7-11-15)14-8-4-3-5-9-14;/h13-14H,3-12H2,1-2H3;1H2/q+1;/p-1.
What are the key properties of 1-cyclohexyl-1-(2-methylpropyl)pyrrolidin-1-ium hydroxide?
1-cyclohexyl-1-(2-methylpropyl)pyrrolidin-1-ium hydroxide has a molecular weight of 227.39 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-(2-methylpropyl)pyrrolidin-1-ium hydroxide is sourced from PubChem (CID 70019231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).