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

C12H25N3O — CID 63166511

IUPAC1-[2-amino-1-(oxolan-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(C(CN)C2CCOC2)C1
InChIInChI=1S/C12H25N3O/c1-14(2)11-3-5-15(8-11)12(7-13)10-4-6-16-9-10/h10-12H,3-9,13H2,1-2H3
InChIKeyIXXHKKQTBWMXGQ-UHFFFAOYSA-N
MW227.35 g/mol
LogP-0.01
Rot. Bonds4

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

1-[2-amino-1-(oxolan-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 63166511) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-[2-amino-1-(oxolan-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-amino-1-(oxolan-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID63166511
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name1-[2-amino-1-(oxolan-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(C(CN)C2CCOC2)C1
InChIInChI=1S/C12H25N3O/c1-14(2)11-3-5-15(8-11)12(7-13)10-4-6-16-9-10/h10-12H,3-9,13H2,1-2H3
InChIKeyIXXHKKQTBWMXGQ-UHFFFAOYSA-N
XLogP-0.01
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-amino-1-(oxan-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 55242614
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-(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
1-(1-amino-4-methylpentan-2-yl)-N,N-dimethylpyrrolidin-3-amine
CID 63166510
2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(oxolan-3-yl)ethanamine
CID 16783449
2-(4-butan-2-ylpiperazin-1-yl)-2-(oxan-4-yl)ethanamine
CID 62775186
3-amino-2-[3-(dimethylamino)pyrrolidin-1-yl]propanoic acid
CID 64695225
1-(1-aminopentan-3-yl)-N,N-dimethylpyrrolidin-3-amine
CID 63166111
2-(2,2-dimethylhydrazinyl)-2-(oxolan-3-yl)ethanamine
CID 83010989
1-(1-amino-3-methylhexan-2-yl)-N,N-dimethylpyrrolidin-3-amine
CID 63166152

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(oxolan-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-amino-1-(oxolan-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine (CID 63166511) is 1-[2-amino-1-(oxolan-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-amino-1-(oxolan-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-amino-1-(oxolan-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(C(CN)C2CCOC2)C1.
What is the InChIKey of 1-[2-amino-1-(oxolan-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is IXXHKKQTBWMXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-14(2)11-3-5-15(8-11)12(7-13)10-4-6-16-9-10/h10-12H,3-9,13H2,1-2H3.
What are the key properties of 1-[2-amino-1-(oxolan-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
1-[2-amino-1-(oxolan-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 227.35 g/mol, XLogP of -0.01, 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-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 63166511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).