2-ethyl-2-[(3-methylcyclohexyl)methyl]pyrrolidine

C14H27N — CID 104688234

IUPAC2-ethyl-2-[(3-methylcyclohexyl)methyl]pyrrolidine
SMILESCCC1(CC2CCCC(C)C2)CCCN1
InChIInChI=1S/C14H27N/c1-3-14(8-5-9-15-14)11-13-7-4-6-12(2)10-13/h12-13,15H,3-11H2,1-2H3
InChIKeyQDQRTXNMOFCWAA-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.73
Rot. Bonds3

About 2-ethyl-2-[(3-methylcyclohexyl)methyl]pyrrolidine

2-ethyl-2-[(3-methylcyclohexyl)methyl]pyrrolidine (PubChem CID 104688234) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 2-ethyl-2-[(3-methylcyclohexyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-ethyl-2-[(3-methylcyclohexyl)methyl]pyrrolidine
PubChem CID104688234
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name2-ethyl-2-[(3-methylcyclohexyl)methyl]pyrrolidine
SMILESCCC1(CC2CCCC(C)C2)CCCN1
InChIInChI=1S/C14H27N/c1-3-14(8-5-9-15-14)11-13-7-4-6-12(2)10-13/h12-13,15H,3-11H2,1-2H3
InChIKeyQDQRTXNMOFCWAA-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyl-N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylmethanamine
CID 83073335
2-(cyclopropylmethyl)-2-propylpyrrolidine
CID 66465576
[2-(cyclopentylmethyl)pyrrolidin-2-yl]methanol
CID 83080759
2-ethyl-2-(oxan-2-ylmethyl)pyrrolidine
CID 117271043
trans-(1S,3S)-1-ethyl-3-methylcyclohexane
CID 23620235
1-cyclopropyl-N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylmethanamine
CID 83073465
1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane
CID 19860313
cis-(1R,3S)-1-methyl-3-propylcyclohexane
CID 154071124
4-[2-(2-ethylpyrrolidin-2-yl)ethyl]-1-methylpiperidine
CID 117271420
ethane;1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane
CID 171814310
4-[2-(2-ethylpyrrolidin-2-yl)ethyl]thiane 1,1-dioxide
CID 117271412
[2-(piperidin-3-ylmethyl)pyrrolidin-2-yl]methanol
CID 115103316

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(3-methylcyclohexyl)methyl]pyrrolidine?
The IUPAC name of 2-ethyl-2-[(3-methylcyclohexyl)methyl]pyrrolidine (CID 104688234) is 2-ethyl-2-[(3-methylcyclohexyl)methyl]pyrrolidine.
What is the SMILES notation for 2-ethyl-2-[(3-methylcyclohexyl)methyl]pyrrolidine?
The canonical SMILES for 2-ethyl-2-[(3-methylcyclohexyl)methyl]pyrrolidine is CCC1(CC2CCCC(C)C2)CCCN1.
What is the InChIKey of 2-ethyl-2-[(3-methylcyclohexyl)methyl]pyrrolidine?
The InChIKey is QDQRTXNMOFCWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-3-14(8-5-9-15-14)11-13-7-4-6-12(2)10-13/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 2-ethyl-2-[(3-methylcyclohexyl)methyl]pyrrolidine?
2-ethyl-2-[(3-methylcyclohexyl)methyl]pyrrolidine has a molecular weight of 209.38 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(3-methylcyclohexyl)methyl]pyrrolidine is sourced from PubChem (CID 104688234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).