N,N,4-trimethyl-1-[2-(propylamino)butyl]pyrrolidin-3-amine

C14H31N3 — CID 81465085

IUPACN,N,4-trimethyl-1-[2-(propylamino)butyl]pyrrolidin-3-amine
SMILESCCCNC(CC)CN1CC(C)C(N(C)C)C1
InChIInChI=1S/C14H31N3/c1-6-8-15-13(7-2)10-17-9-12(3)14(11-17)16(4)5/h12-15H,6-11H2,1-5H3
InChIKeyGHPZPPFOAFUXBC-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.65
Rot. Bonds7

About N,N,4-trimethyl-1-[2-(propylamino)butyl]pyrrolidin-3-amine

N,N,4-trimethyl-1-[2-(propylamino)butyl]pyrrolidin-3-amine (PubChem CID 81465085) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is N,N,4-trimethyl-1-[2-(propylamino)butyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-1-[2-(propylamino)butyl]pyrrolidin-3-amine
PubChem CID81465085
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC NameN,N,4-trimethyl-1-[2-(propylamino)butyl]pyrrolidin-3-amine
SMILESCCCNC(CC)CN1CC(C)C(N(C)C)C1
InChIInChI=1S/C14H31N3/c1-6-8-15-13(7-2)10-17-9-12(3)14(11-17)16(4)5/h12-15H,6-11H2,1-5H3
InChIKeyGHPZPPFOAFUXBC-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

1-[2-cyclopropyl-2-(propylamino)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81463979
3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)propan-1-ol
CID 81469027
N,N,4-trimethyl-1-[3-(propylamino)butyl]pyrrolidin-3-amine
CID 81463851
4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)butanenitrile
CID 81475532
1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-(propylamino)propan-2-ol
CID 81464324
1-[2-(ethylamino)propyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464849
N,N,4-trimethyl-1-[5-(propylamino)hexyl]pyrrolidin-3-amine
CID 81465461
1-[2-(ethylamino)-3-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81465190
4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)butan-1-ol
CID 81469479
1-(4-ethyl-3-methylpiperazin-1-yl)-N-propylbutan-2-amine
CID 55216953
1-(3,5-dimethylpiperidin-1-yl)-N-propylpentan-2-amine
CID 62042262
N,N-dimethyl-1-[2-(propylamino)pentyl]piperidin-4-amine
CID 62043146

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-1-[2-(propylamino)butyl]pyrrolidin-3-amine?
The IUPAC name of N,N,4-trimethyl-1-[2-(propylamino)butyl]pyrrolidin-3-amine (CID 81465085) is N,N,4-trimethyl-1-[2-(propylamino)butyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N,4-trimethyl-1-[2-(propylamino)butyl]pyrrolidin-3-amine?
The canonical SMILES for N,N,4-trimethyl-1-[2-(propylamino)butyl]pyrrolidin-3-amine is CCCNC(CC)CN1CC(C)C(N(C)C)C1.
What is the InChIKey of N,N,4-trimethyl-1-[2-(propylamino)butyl]pyrrolidin-3-amine?
The InChIKey is GHPZPPFOAFUXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-6-8-15-13(7-2)10-17-9-12(3)14(11-17)16(4)5/h12-15H,6-11H2,1-5H3.
What are the key properties of N,N,4-trimethyl-1-[2-(propylamino)butyl]pyrrolidin-3-amine?
N,N,4-trimethyl-1-[2-(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-[2-(propylamino)butyl]pyrrolidin-3-amine is sourced from PubChem (CID 81465085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).