5-(2,2-dimethylpyrrolidin-1-yl)-N-ethylpentan-2-amine

C13H28N2 — CID 63220042

IUPAC5-(2,2-dimethylpyrrolidin-1-yl)-N-ethylpentan-2-amine
SMILESCCNC(C)CCCN1CCCC1(C)C
InChIInChI=1S/C13H28N2/c1-5-14-12(2)8-6-10-15-11-7-9-13(15,3)4/h12,14H,5-11H2,1-4H3
InChIKeySYTZXXUNFFDYER-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.64
Rot. Bonds6

About 5-(2,2-dimethylpyrrolidin-1-yl)-N-ethylpentan-2-amine

5-(2,2-dimethylpyrrolidin-1-yl)-N-ethylpentan-2-amine (PubChem CID 63220042) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 5-(2,2-dimethylpyrrolidin-1-yl)-N-ethylpentan-2-amine.

Molecular Properties

Compound Name5-(2,2-dimethylpyrrolidin-1-yl)-N-ethylpentan-2-amine
PubChem CID63220042
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name5-(2,2-dimethylpyrrolidin-1-yl)-N-ethylpentan-2-amine
SMILESCCNC(C)CCCN1CCCC1(C)C
InChIInChI=1S/C13H28N2/c1-5-14-12(2)8-6-10-15-11-7-9-13(15,3)4/h12,14H,5-11H2,1-4H3
InChIKeySYTZXXUNFFDYER-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpyrrolidin-1-yl)-N-ethylpentan-2-amine?
The IUPAC name of 5-(2,2-dimethylpyrrolidin-1-yl)-N-ethylpentan-2-amine (CID 63220042) is 5-(2,2-dimethylpyrrolidin-1-yl)-N-ethylpentan-2-amine.
What is the SMILES notation for 5-(2,2-dimethylpyrrolidin-1-yl)-N-ethylpentan-2-amine?
The canonical SMILES for 5-(2,2-dimethylpyrrolidin-1-yl)-N-ethylpentan-2-amine is CCNC(C)CCCN1CCCC1(C)C.
What is the InChIKey of 5-(2,2-dimethylpyrrolidin-1-yl)-N-ethylpentan-2-amine?
The InChIKey is SYTZXXUNFFDYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-14-12(2)8-6-10-15-11-7-9-13(15,3)4/h12,14H,5-11H2,1-4H3.
What are the key properties of 5-(2,2-dimethylpyrrolidin-1-yl)-N-ethylpentan-2-amine?
5-(2,2-dimethylpyrrolidin-1-yl)-N-ethylpentan-2-amine has a molecular weight of 212.38 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpyrrolidin-1-yl)-N-ethylpentan-2-amine is sourced from PubChem (CID 63220042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).