N,N,4-trimethyl-1-[3-(propylamino)butyl]pyrrolidin-3-amine

C14H31N3 — CID 81463851

IUPACN,N,4-trimethyl-1-[3-(propylamino)butyl]pyrrolidin-3-amine
SMILESCCCNC(C)CCN1CC(C)C(N(C)C)C1
InChIInChI=1S/C14H31N3/c1-6-8-15-13(3)7-9-17-10-12(2)14(11-17)16(4)5/h12-15H,6-11H2,1-5H3
InChIKeyFTBQWXUDSUMTFJ-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.65
Rot. Bonds7

About N,N,4-trimethyl-1-[3-(propylamino)butyl]pyrrolidin-3-amine

N,N,4-trimethyl-1-[3-(propylamino)butyl]pyrrolidin-3-amine (PubChem CID 81463851) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is N,N,4-trimethyl-1-[3-(propylamino)butyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-1-[3-(propylamino)butyl]pyrrolidin-3-amine
PubChem CID81463851
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC NameN,N,4-trimethyl-1-[3-(propylamino)butyl]pyrrolidin-3-amine
SMILESCCCNC(C)CCN1CC(C)C(N(C)C)C1
InChIInChI=1S/C14H31N3/c1-6-8-15-13(3)7-9-17-10-12(2)14(11-17)16(4)5/h12-15H,6-11H2,1-5H3
InChIKeyFTBQWXUDSUMTFJ-UHFFFAOYSA-N
XLogP1.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N,4-trimethyl-1-[5-(propylamino)hexyl]pyrrolidin-3-amine
CID 81465461
4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)butanenitrile
CID 81475532
N,N,4-trimethyl-1-[2-(propylamino)butyl]pyrrolidin-3-amine
CID 81465085
1-[2-cyclopropyl-2-(propylamino)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81463979
1-[2-(ethylamino)propyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464849
4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)butan-1-ol
CID 81469479
N,N,4-trimethyl-1-[2-(3-methylbutylamino)ethyl]pyrrolidin-3-amine
CID 81469905
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-propylbutan-2-amine
CID 115559484
N-propyl-5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine
CID 114537915
1-[2-(ethylamino)-3-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81465190
1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-(propylamino)propan-2-ol
CID 81464324
N,N,4-trimethyl-1-[5-(2-methylpropylamino)pentyl]pyrrolidin-3-amine
CID 81469175

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-1-[3-(propylamino)butyl]pyrrolidin-3-amine?
The IUPAC name of N,N,4-trimethyl-1-[3-(propylamino)butyl]pyrrolidin-3-amine (CID 81463851) is N,N,4-trimethyl-1-[3-(propylamino)butyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N,4-trimethyl-1-[3-(propylamino)butyl]pyrrolidin-3-amine?
The canonical SMILES for N,N,4-trimethyl-1-[3-(propylamino)butyl]pyrrolidin-3-amine is CCCNC(C)CCN1CC(C)C(N(C)C)C1.
What is the InChIKey of N,N,4-trimethyl-1-[3-(propylamino)butyl]pyrrolidin-3-amine?
The InChIKey is FTBQWXUDSUMTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-6-8-15-13(3)7-9-17-10-12(2)14(11-17)16(4)5/h12-15H,6-11H2,1-5H3.
What are the key properties of N,N,4-trimethyl-1-[3-(propylamino)butyl]pyrrolidin-3-amine?
N,N,4-trimethyl-1-[3-(propylamino)butyl]pyrrolidin-3-amine has a molecular weight of 241.42 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-1-[3-(propylamino)butyl]pyrrolidin-3-amine is sourced from PubChem (CID 81463851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).