2-methyl-2-[(4-methylcyclohexyl)methyl]pyrrolidine

C13H25N — CID 104688162

IUPAC2-methyl-2-[(4-methylcyclohexyl)methyl]pyrrolidine
SMILESCC1CCC(CC2(C)CCCN2)CC1
InChIInChI=1S/C13H25N/c1-11-4-6-12(7-5-11)10-13(2)8-3-9-14-13/h11-12,14H,3-10H2,1-2H3
InChIKeyWGUJTOCLTUCQAN-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.34
Rot. Bonds2

About 2-methyl-2-[(4-methylcyclohexyl)methyl]pyrrolidine

2-methyl-2-[(4-methylcyclohexyl)methyl]pyrrolidine (PubChem CID 104688162) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 2-methyl-2-[(4-methylcyclohexyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-methyl-2-[(4-methylcyclohexyl)methyl]pyrrolidine
PubChem CID104688162
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name2-methyl-2-[(4-methylcyclohexyl)methyl]pyrrolidine
SMILESCC1CCC(CC2(C)CCCN2)CC1
InChIInChI=1S/C13H25N/c1-11-4-6-12(7-5-11)10-13(2)8-3-9-14-13/h11-12,14H,3-10H2,1-2H3
InChIKeyWGUJTOCLTUCQAN-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-ethyl-4-[(2-methylpiperidin-2-yl)methyl]piperidine
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(2S)-2-methyl-2-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine
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[(2R)-2-methylpyrrolidin-2-yl]methanol
CID 51656383
1-methyl-4-[2-(2-methylpyrrolidin-2-yl)ethyl]piperidine
CID 117271418
2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylpyrrolidine
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N-(cyclobutylmethyl)-N-[(2-methylpyrrolidin-2-yl)methyl]ethanamine
CID 107399295
1-methyl-3-[2-(2-methylpyrrolidin-2-yl)ethyl]piperidine
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(4-methylcyclohexyl)methyl]pyrrolidine?
The IUPAC name of 2-methyl-2-[(4-methylcyclohexyl)methyl]pyrrolidine (CID 104688162) is 2-methyl-2-[(4-methylcyclohexyl)methyl]pyrrolidine.
What is the SMILES notation for 2-methyl-2-[(4-methylcyclohexyl)methyl]pyrrolidine?
The canonical SMILES for 2-methyl-2-[(4-methylcyclohexyl)methyl]pyrrolidine is CC1CCC(CC2(C)CCCN2)CC1.
What is the InChIKey of 2-methyl-2-[(4-methylcyclohexyl)methyl]pyrrolidine?
The InChIKey is WGUJTOCLTUCQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-11-4-6-12(7-5-11)10-13(2)8-3-9-14-13/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 2-methyl-2-[(4-methylcyclohexyl)methyl]pyrrolidine?
2-methyl-2-[(4-methylcyclohexyl)methyl]pyrrolidine has a molecular weight of 195.35 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(4-methylcyclohexyl)methyl]pyrrolidine is sourced from PubChem (CID 104688162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).