1-[2-amino-1-(oxan-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine

C13H27N3O — CID 55242614

IUPAC1-[2-amino-1-(oxan-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(C(CN)C2CCCOC2)C1
InChIInChI=1S/C13H27N3O/c1-15(2)12-5-6-16(9-12)13(8-14)11-4-3-7-17-10-11/h11-13H,3-10,14H2,1-2H3
InChIKeyUOVLEIKHSILHEI-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.38
Rot. Bonds4

About 1-[2-amino-1-(oxan-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine

1-[2-amino-1-(oxan-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 55242614) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-[2-amino-1-(oxan-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-amino-1-(oxan-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID55242614
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name1-[2-amino-1-(oxan-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(C(CN)C2CCCOC2)C1
InChIInChI=1S/C13H27N3O/c1-15(2)12-5-6-16(9-12)13(8-14)11-4-3-7-17-10-11/h11-13H,3-10,14H2,1-2H3
InChIKeyUOVLEIKHSILHEI-UHFFFAOYSA-N
XLogP0.38
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 ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-amino-1-(oxolan-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166511
2-(3-methylpyrrolidin-1-yl)-2-(oxolan-3-yl)ethanamine
CID 61222169
2-(3-methoxypyrrolidin-1-yl)-2-(oxolan-3-yl)ethanamine
CID 103531661
2-(2,4-dimethylpiperidin-1-yl)-2-(oxan-3-yl)ethanamine
CID 63741474
2-(1,3-dihydroisoindol-2-yl)-2-(oxan-3-yl)ethanamine
CID 63741473
2-(4,4-dimethylazepan-1-yl)-2-(oxolan-3-yl)ethanamine
CID 65283837
1-(4-amino-3-methylbutan-2-yl)-N,N-dimethylpyrrolidin-3-amine
CID 79408643
2-cyclopentyl-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine
CID 62988805
N-methyl-N-(2-methylpropyl)-1-(oxan-3-yl)ethane-1,2-diamine
CID 63741818
1-(1-amino-4-methylpentan-2-yl)-N,N-dimethylpyrrolidin-3-amine
CID 63166510
2-(dimethylamino)-1-(oxan-3-yl)ethanol
CID 107136154
2-cyclopentyl-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103531635

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(oxan-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-amino-1-(oxan-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine (CID 55242614) is 1-[2-amino-1-(oxan-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-amino-1-(oxan-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-amino-1-(oxan-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(C(CN)C2CCCOC2)C1.
What is the InChIKey of 1-[2-amino-1-(oxan-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is UOVLEIKHSILHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-15(2)12-5-6-16(9-12)13(8-14)11-4-3-7-17-10-11/h11-13H,3-10,14H2,1-2H3.
What are the key properties of 1-[2-amino-1-(oxan-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
1-[2-amino-1-(oxan-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 241.38 g/mol, XLogP of 0.38, 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-(oxan-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 55242614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).