N,N-diethyl-1-[4-(methylamino)hexyl]pyrrolidin-3-amine

C15H33N3 — CID 106799808

IUPACN,N-diethyl-1-[4-(methylamino)hexyl]pyrrolidin-3-amine
SMILESCCC(CCCN1CCC(N(CC)CC)C1)NC
InChIInChI=1S/C15H33N3/c1-5-14(16-4)9-8-11-17-12-10-15(13-17)18(6-2)7-3/h14-16H,5-13H2,1-4H3
InChIKeyGHZLNFIUJBZXQK-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.18
Rot. Bonds9

About N,N-diethyl-1-[4-(methylamino)hexyl]pyrrolidin-3-amine

N,N-diethyl-1-[4-(methylamino)hexyl]pyrrolidin-3-amine (PubChem CID 106799808) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is N,N-diethyl-1-[4-(methylamino)hexyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-diethyl-1-[4-(methylamino)hexyl]pyrrolidin-3-amine
PubChem CID106799808
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC NameN,N-diethyl-1-[4-(methylamino)hexyl]pyrrolidin-3-amine
SMILESCCC(CCCN1CCC(N(CC)CC)C1)NC
InChIInChI=1S/C15H33N3/c1-5-14(16-4)9-8-11-17-12-10-15(13-17)18(6-2)7-3/h14-16H,5-13H2,1-4H3
InChIKeyGHZLNFIUJBZXQK-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-[3-(methylamino)propyl]pyrrolidin-3-amine
CID 63164683
4-[3-(diethylamino)pyrrolidin-1-yl]-2-(methylamino)butan-1-ol
CID 64791699
3-[3-(diethylamino)pyrrolidin-1-yl]propan-1-ol
CID 63164582
N,N-diethyl-1-[5-(ethylamino)hexyl]pyrrolidin-3-amine
CID 63169734
6-(3-methoxypiperidin-1-yl)-N-methylhexan-3-amine
CID 106800149
6-(4-cyclopentylpiperazin-1-yl)-N-methylhexan-3-amine
CID 106799730
1-(4-amino-4-phenylbutyl)-N,N-diethylpyrrolidin-3-amine
CID 63321943
1-(3,3-diethoxypropyl)-N,N-diethylpyrrolidin-3-amine
CID 63628433
4-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)butanenitrile
CID 63165673
2-(cyclopropylamino)-4-[3-(diethylamino)pyrrolidin-1-yl]butanenitrile
CID 63165674
N,N-diethyl-1-[3-(propylamino)butyl]pyrrolidin-3-amine
CID 63169385
N,N-diethyl-1-[2-methyl-3-(methylamino)propyl]pyrrolidin-3-amine
CID 63166631

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[4-(methylamino)hexyl]pyrrolidin-3-amine?
The IUPAC name of N,N-diethyl-1-[4-(methylamino)hexyl]pyrrolidin-3-amine (CID 106799808) is N,N-diethyl-1-[4-(methylamino)hexyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-diethyl-1-[4-(methylamino)hexyl]pyrrolidin-3-amine?
The canonical SMILES for N,N-diethyl-1-[4-(methylamino)hexyl]pyrrolidin-3-amine is CCC(CCCN1CCC(N(CC)CC)C1)NC.
What is the InChIKey of N,N-diethyl-1-[4-(methylamino)hexyl]pyrrolidin-3-amine?
The InChIKey is GHZLNFIUJBZXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-5-14(16-4)9-8-11-17-12-10-15(13-17)18(6-2)7-3/h14-16H,5-13H2,1-4H3.
What are the key properties of N,N-diethyl-1-[4-(methylamino)hexyl]pyrrolidin-3-amine?
N,N-diethyl-1-[4-(methylamino)hexyl]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-[4-(methylamino)hexyl]pyrrolidin-3-amine is sourced from PubChem (CID 106799808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).