N,N-diethyl-1-[5-(ethylamino)hexyl]pyrrolidin-3-amine

C16H35N3 — CID 63169734

IUPACN,N-diethyl-1-[5-(ethylamino)hexyl]pyrrolidin-3-amine
SMILESCCNC(C)CCCCN1CCC(N(CC)CC)C1
InChIInChI=1S/C16H35N3/c1-5-17-15(4)10-8-9-12-18-13-11-16(14-18)19(6-2)7-3/h15-17H,5-14H2,1-4H3
InChIKeyOHPJOBOVHOOEMY-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.57
Rot. Bonds10

About N,N-diethyl-1-[5-(ethylamino)hexyl]pyrrolidin-3-amine

N,N-diethyl-1-[5-(ethylamino)hexyl]pyrrolidin-3-amine (PubChem CID 63169734) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is N,N-diethyl-1-[5-(ethylamino)hexyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-diethyl-1-[5-(ethylamino)hexyl]pyrrolidin-3-amine
PubChem CID63169734
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC NameN,N-diethyl-1-[5-(ethylamino)hexyl]pyrrolidin-3-amine
SMILESCCNC(C)CCCCN1CCC(N(CC)CC)C1
InChIInChI=1S/C16H35N3/c1-5-17-15(4)10-8-9-12-18-13-11-16(14-18)19(6-2)7-3/h15-17H,5-14H2,1-4H3
InChIKeyOHPJOBOVHOOEMY-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-1-[3-(propylamino)butyl]pyrrolidin-3-amine
CID 63169385
N,N-diethyl-1-[3-(methylamino)propyl]pyrrolidin-3-amine
CID 63164683
3-[3-(diethylamino)pyrrolidin-1-yl]propan-1-ol
CID 63164582
N,N-diethyl-1-[4-(methylamino)hexyl]pyrrolidin-3-amine
CID 106799808
6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-ethylhexan-2-amine
CID 63151140
N,N-diethyl-1-[2-(ethylamino)pentyl]pyrrolidin-3-amine
CID 55160900
N-ethyl-5-(4-propylpiperidin-1-yl)pentan-2-amine
CID 55050463
1-[2-cyclohexyl-2-(ethylamino)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 104746160
2-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-methylpentanamide
CID 63165258
1-[2-(ethylamino)propyl]-N,N-dimethylpyrrolidin-3-amine
CID 63164255
4-[3-(diethylamino)pyrrolidin-1-yl]-2-methylbutan-2-ol
CID 79361989
2-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-ethylpentanoic acid
CID 106806209

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[5-(ethylamino)hexyl]pyrrolidin-3-amine?
The IUPAC name of N,N-diethyl-1-[5-(ethylamino)hexyl]pyrrolidin-3-amine (CID 63169734) is N,N-diethyl-1-[5-(ethylamino)hexyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-diethyl-1-[5-(ethylamino)hexyl]pyrrolidin-3-amine?
The canonical SMILES for N,N-diethyl-1-[5-(ethylamino)hexyl]pyrrolidin-3-amine is CCNC(C)CCCCN1CCC(N(CC)CC)C1.
What is the InChIKey of N,N-diethyl-1-[5-(ethylamino)hexyl]pyrrolidin-3-amine?
The InChIKey is OHPJOBOVHOOEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-5-17-15(4)10-8-9-12-18-13-11-16(14-18)19(6-2)7-3/h15-17H,5-14H2,1-4H3.
What are the key properties of N,N-diethyl-1-[5-(ethylamino)hexyl]pyrrolidin-3-amine?
N,N-diethyl-1-[5-(ethylamino)hexyl]pyrrolidin-3-amine has a molecular weight of 269.48 g/mol, XLogP of 2.57, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[5-(ethylamino)hexyl]pyrrolidin-3-amine is sourced from PubChem (CID 63169734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).