1-(cyclopentylmethyl)-2-ethylpyrrolidine

C12H23N — CID 130627690

IUPAC1-(cyclopentylmethyl)-2-ethylpyrrolidine
SMILESCCC1CCCN1CC1CCCC1
InChIInChI=1S/C12H23N/c1-2-12-8-5-9-13(12)10-11-6-3-4-7-11/h11-12H,2-10H2,1H3
InChIKeyOATRFOFINUKBKC-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.05
Rot. Bonds3

About 1-(cyclopentylmethyl)-2-ethylpyrrolidine

1-(cyclopentylmethyl)-2-ethylpyrrolidine (PubChem CID 130627690) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-2-ethylpyrrolidine.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-2-ethylpyrrolidine
PubChem CID130627690
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-(cyclopentylmethyl)-2-ethylpyrrolidine
SMILESCCC1CCCN1CC1CCCC1
InChIInChI=1S/C12H23N/c1-2-12-8-5-9-13(12)10-11-6-3-4-7-11/h11-12H,2-10H2,1H3
InChIKeyOATRFOFINUKBKC-UHFFFAOYSA-N
XLogP3.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Azabicyclo[2.2.1]heptane, 2-methyl-
CID 20618
2-Azoniabicyclo(2.2.1)heptane, 2,2-dimethyl-, iodide
CID 20574
2-Ethyl-2-azabicyclo(2.2.1)heptane
CID 20576
Cyclopenta(b)pyrrole, 2,3,3a,6a-tetrahydro-1,2-dimethyl-
CID 3057780
2-Azoniabicyclo(2.2.1)heptane, 2-ethyl-2-methyl-, iodide, (exo)-
CID 199593
(2S)-1-methyl-2-[(3R)-1-methylpyrrolidin-3-yl]pyrrolidine
CID 162982738
N-(2-methylcyclohexyl)pyrrolidine
CID 12218077
1-Methyl-2-(1-methylethyl)pyrrolidine
CID 264798
Pyrrolidinium, 1-ethyl-1-(2,4,4-trimethylcyclopentyl)-
CID 12077324
1-Methyl-3-propylpyrrolidine
CID 18722953
(1R)-1-cyclopentyl-N,N-dimethylethanamine
CID 23229091
(2R)-2-cyclohexyl-1-methylpyrrolidine
CID 57617591

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-2-ethylpyrrolidine?
The IUPAC name of 1-(cyclopentylmethyl)-2-ethylpyrrolidine (CID 130627690) is 1-(cyclopentylmethyl)-2-ethylpyrrolidine.
What is the SMILES notation for 1-(cyclopentylmethyl)-2-ethylpyrrolidine?
The canonical SMILES for 1-(cyclopentylmethyl)-2-ethylpyrrolidine is CCC1CCCN1CC1CCCC1.
What is the InChIKey of 1-(cyclopentylmethyl)-2-ethylpyrrolidine?
The InChIKey is OATRFOFINUKBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-2-12-8-5-9-13(12)10-11-6-3-4-7-11/h11-12H,2-10H2,1H3.
What are the key properties of 1-(cyclopentylmethyl)-2-ethylpyrrolidine?
1-(cyclopentylmethyl)-2-ethylpyrrolidine has a molecular weight of 181.32 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-2-ethylpyrrolidine is sourced from PubChem (CID 130627690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).