N,N-diethyl-1-[3-(propylamino)butyl]pyrrolidin-3-amine

C15H33N3 — CID 63169385

IUPACN,N-diethyl-1-[3-(propylamino)butyl]pyrrolidin-3-amine
SMILESCCCNC(C)CCN1CCC(N(CC)CC)C1
InChIInChI=1S/C15H33N3/c1-5-10-16-14(4)8-11-17-12-9-15(13-17)18(6-2)7-3/h14-16H,5-13H2,1-4H3
InChIKeyGJDJASFCESMYLR-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.18
Rot. Bonds9

About N,N-diethyl-1-[3-(propylamino)butyl]pyrrolidin-3-amine

N,N-diethyl-1-[3-(propylamino)butyl]pyrrolidin-3-amine (PubChem CID 63169385) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is N,N-diethyl-1-[3-(propylamino)butyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-diethyl-1-[3-(propylamino)butyl]pyrrolidin-3-amine
PubChem CID63169385
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC NameN,N-diethyl-1-[3-(propylamino)butyl]pyrrolidin-3-amine
SMILESCCCNC(C)CCN1CCC(N(CC)CC)C1
InChIInChI=1S/C15H33N3/c1-5-10-16-14(4)8-11-17-12-9-15(13-17)18(6-2)7-3/h14-16H,5-13H2,1-4H3
InChIKeyGJDJASFCESMYLR-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-1-[5-(ethylamino)hexyl]pyrrolidin-3-amine
CID 63169734
N,N-dimethyl-1-[2-(pentan-2-ylamino)ethyl]pyrrolidin-3-amine
CID 63167950
1-[2-cyclopentyl-2-(propylamino)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 104746159
N,N-diethyl-1-[3-methoxy-2-(propylamino)propyl]pyrrolidin-3-amine
CID 107505722
N,N-diethyl-1-[3-(methylamino)propyl]pyrrolidin-3-amine
CID 63164683
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-propylbutan-2-amine
CID 115559484
1-(3,3-diethoxypropyl)-N,N-diethylpyrrolidin-3-amine
CID 63628433
4-[3-(diethylamino)pyrrolidin-1-yl]-2-(methylamino)butan-1-ol
CID 64791699
4-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)butanenitrile
CID 63165673
N-[2-[3-(diethylamino)pyrrolidin-1-yl]ethyl]-N',N'-diethylethane-1,2-diamine
CID 63167488
N,N-diethyl-1-[2-(ethylamino)pentyl]pyrrolidin-3-amine
CID 55160900
1-[2-(cyclohexylamino)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 63167533

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[3-(propylamino)butyl]pyrrolidin-3-amine?
The IUPAC name of N,N-diethyl-1-[3-(propylamino)butyl]pyrrolidin-3-amine (CID 63169385) is N,N-diethyl-1-[3-(propylamino)butyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-diethyl-1-[3-(propylamino)butyl]pyrrolidin-3-amine?
The canonical SMILES for N,N-diethyl-1-[3-(propylamino)butyl]pyrrolidin-3-amine is CCCNC(C)CCN1CCC(N(CC)CC)C1.
What is the InChIKey of N,N-diethyl-1-[3-(propylamino)butyl]pyrrolidin-3-amine?
The InChIKey is GJDJASFCESMYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-5-10-16-14(4)8-11-17-12-9-15(13-17)18(6-2)7-3/h14-16H,5-13H2,1-4H3.
What are the key properties of N,N-diethyl-1-[3-(propylamino)butyl]pyrrolidin-3-amine?
N,N-diethyl-1-[3-(propylamino)butyl]pyrrolidin-3-amine has a molecular weight of 255.45 g/mol, XLogP of 2.18, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[3-(propylamino)butyl]pyrrolidin-3-amine is sourced from PubChem (CID 63169385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).