1-(1-amino-3-ethoxy-2-methylpropan-2-yl)-N,N-diethylpyrrolidin-3-amine

C14H31N3O — CID 113493213

IUPAC1-(1-amino-3-ethoxy-2-methylpropan-2-yl)-N,N-diethylpyrrolidin-3-amine
SMILESCCOCC(C)(CN)N1CCC(N(CC)CC)C1
InChIInChI=1S/C14H31N3O/c1-5-16(6-2)13-8-9-17(10-13)14(4,11-15)12-18-7-3/h13H,5-12,15H2,1-4H3
InChIKeyTYDYBRKVVOXKOS-UHFFFAOYSA-N
MW257.42 g/mol
LogP1.16
Rot. Bonds8

About 1-(1-amino-3-ethoxy-2-methylpropan-2-yl)-N,N-diethylpyrrolidin-3-amine

1-(1-amino-3-ethoxy-2-methylpropan-2-yl)-N,N-diethylpyrrolidin-3-amine (PubChem CID 113493213) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-(1-amino-3-ethoxy-2-methylpropan-2-yl)-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(1-amino-3-ethoxy-2-methylpropan-2-yl)-N,N-diethylpyrrolidin-3-amine
PubChem CID113493213
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name1-(1-amino-3-ethoxy-2-methylpropan-2-yl)-N,N-diethylpyrrolidin-3-amine
SMILESCCOCC(C)(CN)N1CCC(N(CC)CC)C1
InChIInChI=1S/C14H31N3O/c1-5-16(6-2)13-8-9-17(10-13)14(4,11-15)12-18-7-3/h13H,5-12,15H2,1-4H3
InChIKeyTYDYBRKVVOXKOS-UHFFFAOYSA-N
XLogP1.16
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Methoxyethyl)pyrrolidin-3-amine
CID 20800284
3-(methoxymethyl)-N,N-dimethylpyrrolidin-3-amine
CID 131430674
(3S)-1-cyclopropyl-N-[2-(2-methylpropoxy)ethyl]pyrrolidin-3-amine
CID 97230824
(S)-1-(2-Methoxyethyl)pyrrolidin-3-amine
CID 10796871
4-ethoxy-N-ethylpyrrolidin-3-amine
CID 19969868
4-ethoxy-N,N-dimethylpyrrolidin-3-amine
CID 19969877
1-(2-methoxyethyl)-N-methylpyrrolidin-3-amine
CID 22272882
1-(3-Methoxypropyl)pyrrolidin-3-amine
CID 22393508
N-ethyl-1-(2-methoxyethyl)pyrrolidin-3-amine
CID 43315471
(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-amine
CID 44141703
(3S,4S)-4-Ethoxy-1-methylpyrrolidin-3-amine
CID 44141750
(3S,4S)-1-Isopropyl-4-methoxypyrrolidin-3-amine
CID 50944271

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-3-ethoxy-2-methylpropan-2-yl)-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of 1-(1-amino-3-ethoxy-2-methylpropan-2-yl)-N,N-diethylpyrrolidin-3-amine (CID 113493213) is 1-(1-amino-3-ethoxy-2-methylpropan-2-yl)-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(1-amino-3-ethoxy-2-methylpropan-2-yl)-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for 1-(1-amino-3-ethoxy-2-methylpropan-2-yl)-N,N-diethylpyrrolidin-3-amine is CCOCC(C)(CN)N1CCC(N(CC)CC)C1.
What is the InChIKey of 1-(1-amino-3-ethoxy-2-methylpropan-2-yl)-N,N-diethylpyrrolidin-3-amine?
The InChIKey is TYDYBRKVVOXKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-5-16(6-2)13-8-9-17(10-13)14(4,11-15)12-18-7-3/h13H,5-12,15H2,1-4H3.
What are the key properties of 1-(1-amino-3-ethoxy-2-methylpropan-2-yl)-N,N-diethylpyrrolidin-3-amine?
1-(1-amino-3-ethoxy-2-methylpropan-2-yl)-N,N-diethylpyrrolidin-3-amine has a molecular weight of 257.42 g/mol, XLogP of 1.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-3-ethoxy-2-methylpropan-2-yl)-N,N-diethylpyrrolidin-3-amine is sourced from PubChem (CID 113493213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).