3-ethyl-N-[(3-methylpyrrolidin-2-yl)methyl]pentan-3-amine

C13H28N2 — CID 102776073

IUPAC3-ethyl-N-[(3-methylpyrrolidin-2-yl)methyl]pentan-3-amine
SMILESCCC(CC)(CC)NCC1NCCC1C
InChIInChI=1S/C13H28N2/c1-5-13(6-2,7-3)15-10-12-11(4)8-9-14-12/h11-12,14-15H,5-10H2,1-4H3
InChIKeyAIYORNFNCNBJRN-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.54
Rot. Bonds6

About 3-ethyl-N-[(3-methylpyrrolidin-2-yl)methyl]pentan-3-amine

3-ethyl-N-[(3-methylpyrrolidin-2-yl)methyl]pentan-3-amine (PubChem CID 102776073) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 3-ethyl-N-[(3-methylpyrrolidin-2-yl)methyl]pentan-3-amine.

Molecular Properties

Compound Name3-ethyl-N-[(3-methylpyrrolidin-2-yl)methyl]pentan-3-amine
PubChem CID102776073
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name3-ethyl-N-[(3-methylpyrrolidin-2-yl)methyl]pentan-3-amine
SMILESCCC(CC)(CC)NCC1NCCC1C
InChIInChI=1S/C13H28N2/c1-5-13(6-2,7-3)15-10-12-11(4)8-9-14-12/h11-12,14-15H,5-10H2,1-4H3
InChIKeyAIYORNFNCNBJRN-UHFFFAOYSA-N
XLogP2.54
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(3-methylpyrrolidin-2-yl)methyl]pentan-3-amine?
The IUPAC name of 3-ethyl-N-[(3-methylpyrrolidin-2-yl)methyl]pentan-3-amine (CID 102776073) is 3-ethyl-N-[(3-methylpyrrolidin-2-yl)methyl]pentan-3-amine.
What is the SMILES notation for 3-ethyl-N-[(3-methylpyrrolidin-2-yl)methyl]pentan-3-amine?
The canonical SMILES for 3-ethyl-N-[(3-methylpyrrolidin-2-yl)methyl]pentan-3-amine is CCC(CC)(CC)NCC1NCCC1C.
What is the InChIKey of 3-ethyl-N-[(3-methylpyrrolidin-2-yl)methyl]pentan-3-amine?
The InChIKey is AIYORNFNCNBJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-13(6-2,7-3)15-10-12-11(4)8-9-14-12/h11-12,14-15H,5-10H2,1-4H3.
What are the key properties of 3-ethyl-N-[(3-methylpyrrolidin-2-yl)methyl]pentan-3-amine?
3-ethyl-N-[(3-methylpyrrolidin-2-yl)methyl]pentan-3-amine has a molecular weight of 212.38 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(3-methylpyrrolidin-2-yl)methyl]pentan-3-amine is sourced from PubChem (CID 102776073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).