5-(2,2-dimethylpyrrolidin-1-yl)-2,2-dimethylpentan-1-amine

C13H28N2 — CID 65254003

IUPAC5-(2,2-dimethylpyrrolidin-1-yl)-2,2-dimethylpentan-1-amine
SMILESCC(C)(CN)CCCN1CCCC1(C)C
InChIInChI=1S/C13H28N2/c1-12(2,11-14)7-5-9-15-10-6-8-13(15,3)4/h5-11,14H2,1-4H3
InChIKeyJMPKWSPARMVMDE-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.63
Rot. Bonds5

About 5-(2,2-dimethylpyrrolidin-1-yl)-2,2-dimethylpentan-1-amine

5-(2,2-dimethylpyrrolidin-1-yl)-2,2-dimethylpentan-1-amine (PubChem CID 65254003) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 5-(2,2-dimethylpyrrolidin-1-yl)-2,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-(2,2-dimethylpyrrolidin-1-yl)-2,2-dimethylpentan-1-amine
PubChem CID65254003
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name5-(2,2-dimethylpyrrolidin-1-yl)-2,2-dimethylpentan-1-amine
SMILESCC(C)(CN)CCCN1CCCC1(C)C
InChIInChI=1S/C13H28N2/c1-12(2,11-14)7-5-9-15-10-6-8-13(15,3)4/h5-11,14H2,1-4H3
InChIKeyJMPKWSPARMVMDE-UHFFFAOYSA-N
XLogP2.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.63
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)-2,2-dimethylpentan-1-amine?
The IUPAC name of 5-(2,2-dimethylpyrrolidin-1-yl)-2,2-dimethylpentan-1-amine (CID 65254003) is 5-(2,2-dimethylpyrrolidin-1-yl)-2,2-dimethylpentan-1-amine.
What is the SMILES notation for 5-(2,2-dimethylpyrrolidin-1-yl)-2,2-dimethylpentan-1-amine?
The canonical SMILES for 5-(2,2-dimethylpyrrolidin-1-yl)-2,2-dimethylpentan-1-amine is CC(C)(CN)CCCN1CCCC1(C)C.
What is the InChIKey of 5-(2,2-dimethylpyrrolidin-1-yl)-2,2-dimethylpentan-1-amine?
The InChIKey is JMPKWSPARMVMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-12(2,11-14)7-5-9-15-10-6-8-13(15,3)4/h5-11,14H2,1-4H3.
What are the key properties of 5-(2,2-dimethylpyrrolidin-1-yl)-2,2-dimethylpentan-1-amine?
5-(2,2-dimethylpyrrolidin-1-yl)-2,2-dimethylpentan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.63, 5 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)-2,2-dimethylpentan-1-amine is sourced from PubChem (CID 65254003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).