1-[2-amino-1-(oxolan-2-yl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine

C13H27N3O — CID 82837415

IUPAC1-[2-amino-1-(oxolan-2-yl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCC1CN(C(CN)C2CCCO2)CC1N(C)C
InChIInChI=1S/C13H27N3O/c1-10-8-16(9-12(10)15(2)3)11(7-14)13-5-4-6-17-13/h10-13H,4-9,14H2,1-3H3
InChIKeyZKHWNKFZYKQKAT-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.37
Rot. Bonds4

About 1-[2-amino-1-(oxolan-2-yl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine

1-[2-amino-1-(oxolan-2-yl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 82837415) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-[2-amino-1-(oxolan-2-yl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-amino-1-(oxolan-2-yl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID82837415
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name1-[2-amino-1-(oxolan-2-yl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCC1CN(C(CN)C2CCCO2)CC1N(C)C
InChIInChI=1S/C13H27N3O/c1-10-8-16(9-12(10)15(2)3)11(7-14)13-5-4-6-17-13/h10-13H,4-9,14H2,1-3H3
InChIKeyZKHWNKFZYKQKAT-UHFFFAOYSA-N
XLogP0.37
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(oxolan-2-yl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-amino-1-(oxolan-2-yl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine (CID 82837415) is 1-[2-amino-1-(oxolan-2-yl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-amino-1-(oxolan-2-yl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-amino-1-(oxolan-2-yl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine is CC1CN(C(CN)C2CCCO2)CC1N(C)C.
What is the InChIKey of 1-[2-amino-1-(oxolan-2-yl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is ZKHWNKFZYKQKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-10-8-16(9-12(10)15(2)3)11(7-14)13-5-4-6-17-13/h10-13H,4-9,14H2,1-3H3.
What are the key properties of 1-[2-amino-1-(oxolan-2-yl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine?
1-[2-amino-1-(oxolan-2-yl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 241.38 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(oxolan-2-yl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 82837415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).