3-(3,3-diethylpyrrolidin-1-yl)cyclobutan-1-amine

C12H24N2 — CID 80561870

IUPAC3-(3,3-diethylpyrrolidin-1-yl)cyclobutan-1-amine
SMILESCCC1(CC)CCN(C2CC(N)C2)C1
InChIInChI=1S/C12H24N2/c1-3-12(4-2)5-6-14(9-12)11-7-10(13)8-11/h10-11H,3-9,13H2,1-2H3
InChIKeyATLXRKSPYPPGOP-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.99
Rot. Bonds3

About 3-(3,3-diethylpyrrolidin-1-yl)cyclobutan-1-amine

3-(3,3-diethylpyrrolidin-1-yl)cyclobutan-1-amine (PubChem CID 80561870) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 3-(3,3-diethylpyrrolidin-1-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3,3-diethylpyrrolidin-1-yl)cyclobutan-1-amine
PubChem CID80561870
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name3-(3,3-diethylpyrrolidin-1-yl)cyclobutan-1-amine
SMILESCCC1(CC)CCN(C2CC(N)C2)C1
InChIInChI=1S/C12H24N2/c1-3-12(4-2)5-6-14(9-12)11-7-10(13)8-11/h10-11H,3-9,13H2,1-2H3
InChIKeyATLXRKSPYPPGOP-UHFFFAOYSA-N
XLogP1.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-diethylpyrrolidin-1-yl)cyclobutan-1-amine?
The IUPAC name of 3-(3,3-diethylpyrrolidin-1-yl)cyclobutan-1-amine (CID 80561870) is 3-(3,3-diethylpyrrolidin-1-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-(3,3-diethylpyrrolidin-1-yl)cyclobutan-1-amine?
The canonical SMILES for 3-(3,3-diethylpyrrolidin-1-yl)cyclobutan-1-amine is CCC1(CC)CCN(C2CC(N)C2)C1.
What is the InChIKey of 3-(3,3-diethylpyrrolidin-1-yl)cyclobutan-1-amine?
The InChIKey is ATLXRKSPYPPGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-3-12(4-2)5-6-14(9-12)11-7-10(13)8-11/h10-11H,3-9,13H2,1-2H3.
What are the key properties of 3-(3,3-diethylpyrrolidin-1-yl)cyclobutan-1-amine?
3-(3,3-diethylpyrrolidin-1-yl)cyclobutan-1-amine has a molecular weight of 196.34 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-diethylpyrrolidin-1-yl)cyclobutan-1-amine is sourced from PubChem (CID 80561870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).