[1-(3,4-dimethylpyrrolidin-1-yl)-3-ethylcyclopentyl]methanamine

C14H28N2 — CID 79188486

IUPAC[1-(3,4-dimethylpyrrolidin-1-yl)-3-ethylcyclopentyl]methanamine
SMILESCCC1CCC(CN)(N2CC(C)C(C)C2)C1
InChIInChI=1S/C14H28N2/c1-4-13-5-6-14(7-13,10-15)16-8-11(2)12(3)9-16/h11-13H,4-10,15H2,1-3H3
InChIKeySZWNDLLPIPYURV-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.48
Rot. Bonds3

About [1-(3,4-dimethylpyrrolidin-1-yl)-3-ethylcyclopentyl]methanamine

[1-(3,4-dimethylpyrrolidin-1-yl)-3-ethylcyclopentyl]methanamine (PubChem CID 79188486) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is [1-(3,4-dimethylpyrrolidin-1-yl)-3-ethylcyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(3,4-dimethylpyrrolidin-1-yl)-3-ethylcyclopentyl]methanamine
PubChem CID79188486
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name[1-(3,4-dimethylpyrrolidin-1-yl)-3-ethylcyclopentyl]methanamine
SMILESCCC1CCC(CN)(N2CC(C)C(C)C2)C1
InChIInChI=1S/C14H28N2/c1-4-13-5-6-14(7-13,10-15)16-8-11(2)12(3)9-16/h11-13H,4-10,15H2,1-3H3
InChIKeySZWNDLLPIPYURV-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dimethylpyrrolidin-1-yl)-3-ethylcyclopentyl]methanamine?
The IUPAC name of [1-(3,4-dimethylpyrrolidin-1-yl)-3-ethylcyclopentyl]methanamine (CID 79188486) is [1-(3,4-dimethylpyrrolidin-1-yl)-3-ethylcyclopentyl]methanamine.
What is the SMILES notation for [1-(3,4-dimethylpyrrolidin-1-yl)-3-ethylcyclopentyl]methanamine?
The canonical SMILES for [1-(3,4-dimethylpyrrolidin-1-yl)-3-ethylcyclopentyl]methanamine is CCC1CCC(CN)(N2CC(C)C(C)C2)C1.
What is the InChIKey of [1-(3,4-dimethylpyrrolidin-1-yl)-3-ethylcyclopentyl]methanamine?
The InChIKey is SZWNDLLPIPYURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-4-13-5-6-14(7-13,10-15)16-8-11(2)12(3)9-16/h11-13H,4-10,15H2,1-3H3.
What are the key properties of [1-(3,4-dimethylpyrrolidin-1-yl)-3-ethylcyclopentyl]methanamine?
[1-(3,4-dimethylpyrrolidin-1-yl)-3-ethylcyclopentyl]methanamine has a molecular weight of 224.39 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dimethylpyrrolidin-1-yl)-3-ethylcyclopentyl]methanamine is sourced from PubChem (CID 79188486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).