N,N-diethyl-1-[1-methoxy-3-(propylamino)propan-2-yl]pyrrolidin-3-amine

C15H33N3O — CID 103226506

IUPACN,N-diethyl-1-[1-methoxy-3-(propylamino)propan-2-yl]pyrrolidin-3-amine
SMILESCCCNCC(COC)N1CCC(N(CC)CC)C1
InChIInChI=1S/C15H33N3O/c1-5-9-16-11-15(13-19-4)18-10-8-14(12-18)17(6-2)7-3/h14-16H,5-13H2,1-4H3
InChIKeyVSOKKIZJNVDKQL-UHFFFAOYSA-N
MW271.45 g/mol
LogP1.42
Rot. Bonds10

About N,N-diethyl-1-[1-methoxy-3-(propylamino)propan-2-yl]pyrrolidin-3-amine

N,N-diethyl-1-[1-methoxy-3-(propylamino)propan-2-yl]pyrrolidin-3-amine (PubChem CID 103226506) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is N,N-diethyl-1-[1-methoxy-3-(propylamino)propan-2-yl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-diethyl-1-[1-methoxy-3-(propylamino)propan-2-yl]pyrrolidin-3-amine
PubChem CID103226506
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC NameN,N-diethyl-1-[1-methoxy-3-(propylamino)propan-2-yl]pyrrolidin-3-amine
SMILESCCCNCC(COC)N1CCC(N(CC)CC)C1
InChIInChI=1S/C15H33N3O/c1-5-9-16-11-15(13-19-4)18-10-8-14(12-18)17(6-2)7-3/h14-16H,5-13H2,1-4H3
InChIKeyVSOKKIZJNVDKQL-UHFFFAOYSA-N
XLogP1.42
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(Pyrrolidin-3-yl)morpholine
CID 14627373
(2-Methoxyethyl)(methyl)((pyrrolidin-2-yl)methyl)amine
CID 50989303
1-(2-Methoxyethyl)pyrrolidin-3-amine
CID 20800284
4-(Pyrrolidin-3-yl)-1,4-oxazepane
CID 62989035
rac-(3R,4R)-4-methoxy-1-methylpyrrolidin-3-amine
CID 75531171
4-(3S)-3-Pyrrolidinyl-morpholine
CID 7176276
Trans-1-Ethyl-4-Methoxy-3-Pyrrolidinamine Dihydrochloride
CID 71311032
trans-4-Methoxy-1-methyl-3-pyrrolidinamine dihydrochloride
CID 71311037
3-(methoxymethyl)-N,N-dimethylpyrrolidin-3-amine
CID 131430674
(3s,4s)-4-Methoxy-n-methylpyrrolidin-3-amine
CID 5232365
cis-4-Methoxypyrrolidin-3-amine
CID 14457269
(3S)-1-cyclopropyl-N-[2-(2-methylpropoxy)ethyl]pyrrolidin-3-amine
CID 97230824

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[1-methoxy-3-(propylamino)propan-2-yl]pyrrolidin-3-amine?
The IUPAC name of N,N-diethyl-1-[1-methoxy-3-(propylamino)propan-2-yl]pyrrolidin-3-amine (CID 103226506) is N,N-diethyl-1-[1-methoxy-3-(propylamino)propan-2-yl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-diethyl-1-[1-methoxy-3-(propylamino)propan-2-yl]pyrrolidin-3-amine?
The canonical SMILES for N,N-diethyl-1-[1-methoxy-3-(propylamino)propan-2-yl]pyrrolidin-3-amine is CCCNCC(COC)N1CCC(N(CC)CC)C1.
What is the InChIKey of N,N-diethyl-1-[1-methoxy-3-(propylamino)propan-2-yl]pyrrolidin-3-amine?
The InChIKey is VSOKKIZJNVDKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O/c1-5-9-16-11-15(13-19-4)18-10-8-14(12-18)17(6-2)7-3/h14-16H,5-13H2,1-4H3.
What are the key properties of N,N-diethyl-1-[1-methoxy-3-(propylamino)propan-2-yl]pyrrolidin-3-amine?
N,N-diethyl-1-[1-methoxy-3-(propylamino)propan-2-yl]pyrrolidin-3-amine has a molecular weight of 271.45 g/mol, XLogP of 1.42, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[1-methoxy-3-(propylamino)propan-2-yl]pyrrolidin-3-amine is sourced from PubChem (CID 103226506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).