1-[1-(5,5-dimethylpyrrolidin-3-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine

C13H27N3 — CID 82015035

IUPAC1-[1-(5,5-dimethylpyrrolidin-3-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCCN1C1CNC(C)(C)C1
InChIInChI=1S/C13H27N3/c1-13(2)8-12(9-14-13)16-7-5-6-11(16)10-15(3)4/h11-12,14H,5-10H2,1-4H3
InChIKeyRSAGJDCBOJLREN-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.15
Rot. Bonds3

About 1-[1-(5,5-dimethylpyrrolidin-3-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine

1-[1-(5,5-dimethylpyrrolidin-3-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine (PubChem CID 82015035) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-[1-(5,5-dimethylpyrrolidin-3-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-(5,5-dimethylpyrrolidin-3-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
PubChem CID82015035
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-[1-(5,5-dimethylpyrrolidin-3-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCCN1C1CNC(C)(C)C1
InChIInChI=1S/C13H27N3/c1-13(2)8-12(9-14-13)16-7-5-6-11(16)10-15(3)4/h11-12,14H,5-10H2,1-4H3
InChIKeyRSAGJDCBOJLREN-UHFFFAOYSA-N
XLogP1.15
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5,5-dimethylpyrrolidin-3-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-(5,5-dimethylpyrrolidin-3-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine (CID 82015035) is 1-[1-(5,5-dimethylpyrrolidin-3-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-(5,5-dimethylpyrrolidin-3-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-(5,5-dimethylpyrrolidin-3-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine is CN(C)CC1CCCN1C1CNC(C)(C)C1.
What is the InChIKey of 1-[1-(5,5-dimethylpyrrolidin-3-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is RSAGJDCBOJLREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-13(2)8-12(9-14-13)16-7-5-6-11(16)10-15(3)4/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 1-[1-(5,5-dimethylpyrrolidin-3-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine?
1-[1-(5,5-dimethylpyrrolidin-3-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 225.38 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5,5-dimethylpyrrolidin-3-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 82015035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).