2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pentan-1-amine

C13H28N2 — CID 83219988

IUPAC2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pentan-1-amine
SMILESCCCC(CN)CN1C(C)CCC1CC
InChIInChI=1S/C13H28N2/c1-4-6-12(9-14)10-15-11(3)7-8-13(15)5-2/h11-13H,4-10,14H2,1-3H3
InChIKeyATRASMDNRMRCGU-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.62
Rot. Bonds6

About 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pentan-1-amine

2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pentan-1-amine (PubChem CID 83219988) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pentan-1-amine.

Molecular Properties

Compound Name2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pentan-1-amine
PubChem CID83219988
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pentan-1-amine
SMILESCCCC(CN)CN1C(C)CCC1CC
InChIInChI=1S/C13H28N2/c1-4-6-12(9-14)10-15-11(3)7-8-13(15)5-2/h11-13H,4-10,14H2,1-3H3
InChIKeyATRASMDNRMRCGU-UHFFFAOYSA-N
XLogP2.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pentan-1-amine?
The IUPAC name of 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pentan-1-amine (CID 83219988) is 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pentan-1-amine.
What is the SMILES notation for 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pentan-1-amine?
The canonical SMILES for 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pentan-1-amine is CCCC(CN)CN1C(C)CCC1CC.
What is the InChIKey of 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pentan-1-amine?
The InChIKey is ATRASMDNRMRCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-6-12(9-14)10-15-11(3)7-8-13(15)5-2/h11-13H,4-10,14H2,1-3H3.
What are the key properties of 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pentan-1-amine?
2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pentan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pentan-1-amine is sourced from PubChem (CID 83219988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).