1-[1-(tert-butylamino)-3-methoxypropan-2-yl]-N,N-diethylpyrrolidin-3-amine

C16H35N3O — CID 103226503

IUPAC1-[1-(tert-butylamino)-3-methoxypropan-2-yl]-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(C(CNC(C)(C)C)COC)C1
InChIInChI=1S/C16H35N3O/c1-7-18(8-2)14-9-10-19(12-14)15(13-20-6)11-17-16(3,4)5/h14-15,17H,7-13H2,1-6H3
InChIKeyDCZHJLXKHMMDJR-UHFFFAOYSA-N
MW285.48 g/mol
LogP1.81
Rot. Bonds8

About 1-[1-(tert-butylamino)-3-methoxypropan-2-yl]-N,N-diethylpyrrolidin-3-amine

1-[1-(tert-butylamino)-3-methoxypropan-2-yl]-N,N-diethylpyrrolidin-3-amine (PubChem CID 103226503) has the molecular formula C16H35N3O and a molecular weight of 285.48 g/mol. Its IUPAC name is 1-[1-(tert-butylamino)-3-methoxypropan-2-yl]-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[1-(tert-butylamino)-3-methoxypropan-2-yl]-N,N-diethylpyrrolidin-3-amine
PubChem CID103226503
Molecular FormulaC16H35N3O
Molecular Weight285.48 g/mol
Exact Mass285.28
IUPAC Name1-[1-(tert-butylamino)-3-methoxypropan-2-yl]-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(C(CNC(C)(C)C)COC)C1
InChIInChI=1S/C16H35N3O/c1-7-18(8-2)14-9-10-19(12-14)15(13-20-6)11-17-16(3,4)5/h14-15,17H,7-13H2,1-6H3
InChIKeyDCZHJLXKHMMDJR-UHFFFAOYSA-N
XLogP1.81
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-1-[1-methoxy-3-(propylamino)propan-2-yl]pyrrolidin-3-amine
CID 103226506
N-[3-methoxy-2-(3-propan-2-ylpyrrolidin-1-yl)propyl]-2-methylpropan-2-amine
CID 103227214
1-[1-(tert-butylamino)-3-methoxypropan-2-yl]-N,N-dimethylpiperidin-3-amine
CID 103226843
1-[1-(tert-butylamino)-3-methylbutan-2-yl]-N,N-diethylpyrrolidin-3-amine
CID 63166974
N-[2-(4,4-dimethylpiperidin-1-yl)-3-methoxypropyl]-2-methylpropan-2-amine
CID 103226367
1-[1-methoxy-3-(propylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 103226498
N,N-diethyl-1-[1-(propylamino)pentan-2-yl]pyrrolidin-3-amine
CID 83055333
N,N-diethyl-1-[1-(propan-2-ylamino)pentan-2-yl]pyrrolidin-3-amine
CID 83055142
N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-methoxypropyl]-2-methylpropan-2-amine
CID 103227144
N-[2-(2,4-dimethylpyrrolidin-1-yl)-3-methoxypropyl]-2-methylpropan-2-amine
CID 103227315
tert-butyl N-[4-amino-3-[3-(diethylamino)pyrrolidin-1-yl]butyl]carbamate
CID 102730052
N-tert-butyl-2-(4-tert-butylpiperidin-1-yl)pentan-1-amine
CID 83042494

Frequently Asked Questions

What is the IUPAC name of 1-[1-(tert-butylamino)-3-methoxypropan-2-yl]-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of 1-[1-(tert-butylamino)-3-methoxypropan-2-yl]-N,N-diethylpyrrolidin-3-amine (CID 103226503) is 1-[1-(tert-butylamino)-3-methoxypropan-2-yl]-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[1-(tert-butylamino)-3-methoxypropan-2-yl]-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for 1-[1-(tert-butylamino)-3-methoxypropan-2-yl]-N,N-diethylpyrrolidin-3-amine is CCN(CC)C1CCN(C(CNC(C)(C)C)COC)C1.
What is the InChIKey of 1-[1-(tert-butylamino)-3-methoxypropan-2-yl]-N,N-diethylpyrrolidin-3-amine?
The InChIKey is DCZHJLXKHMMDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O/c1-7-18(8-2)14-9-10-19(12-14)15(13-20-6)11-17-16(3,4)5/h14-15,17H,7-13H2,1-6H3.
What are the key properties of 1-[1-(tert-butylamino)-3-methoxypropan-2-yl]-N,N-diethylpyrrolidin-3-amine?
1-[1-(tert-butylamino)-3-methoxypropan-2-yl]-N,N-diethylpyrrolidin-3-amine has a molecular weight of 285.48 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(tert-butylamino)-3-methoxypropan-2-yl]-N,N-diethylpyrrolidin-3-amine is sourced from PubChem (CID 103226503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).