3-(dimethylamino)-N-[6-[3-(dimethylamino)propanoylamino]hexyl]propanamide

C16H34N4O2 — CID 3839560

IUPAC3-(dimethylamino)-N-[6-[3-(dimethylamino)propanoylamino]hexyl]propanamide
SMILESCN(C)CCC(=O)NCCCCCCNC(=O)CCN(C)C
InChIInChI=1S/C16H34N4O2/c1-19(2)13-9-15(21)17-11-7-5-6-8-12-18-16(22)10-14-20(3)4/h5-14H2,1-4H3,(H,17,21)(H,18,22)
InChIKeyPTEGGEJXLRTQMU-UHFFFAOYSA-N
MW314.47 g/mol
LogP0.68
Rot. Bonds13

About 3-(dimethylamino)-N-[6-[3-(dimethylamino)propanoylamino]hexyl]propanamide

3-(dimethylamino)-N-[6-[3-(dimethylamino)propanoylamino]hexyl]propanamide (PubChem CID 3839560) has the molecular formula C16H34N4O2 and a molecular weight of 314.47 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[6-[3-(dimethylamino)propanoylamino]hexyl]propanamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[6-[3-(dimethylamino)propanoylamino]hexyl]propanamide
PubChem CID3839560
Molecular FormulaC16H34N4O2
Molecular Weight314.47 g/mol
Exact Mass314.27
IUPAC Name3-(dimethylamino)-N-[6-[3-(dimethylamino)propanoylamino]hexyl]propanamide
SMILESCN(C)CCC(=O)NCCCCCCNC(=O)CCN(C)C
InChIInChI=1S/C16H34N4O2/c1-19(2)13-9-15(21)17-11-7-5-6-8-12-18-16(22)10-14-20(3)4/h5-14H2,1-4H3,(H,17,21)(H,18,22)
InChIKeyPTEGGEJXLRTQMU-UHFFFAOYSA-N
XLogP0.68
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Hexamethylene Bisacetamide
CID 3616
Propanamide, N,N'-1,6-hexanediylbis-
CID 2847505
N-[3-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propyl-[3-(octanoylamino)propyl]amino]propyl]octanamide
CID 16109595
N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide
CID 44346880
N,N'-bis[3-[4-(3-aminopropylamino)butylamino]propyl]hexanediamide
CID 10279393
N-[3-[3-[4-(3-aminopropylamino)butylamino]propyl-[3-(octanoylamino)propyl]amino]propyl]octanamide
CID 16109587
N-[6-(butanoylamino)hexyl]butanamide
CID 5133798
N-[3-[acetyl-[3-(azacyclotridec-1-yl)propyl]amino]propyl]acetamide
CID 10596032
N-(2-aminoethyl)-3-[2-[2-[[3-(2-aminoethylamino)-3-oxopropyl]amino]ethyl-[2-(cyclododecylamino)ethyl]amino]ethylamino]propanamide
CID 15664428
3-amino-N-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butyl]propanamide
CID 490704
N-[3-[acetyl-[3-(azacyclotetradec-1-yl)propyl]amino]propyl]acetamide
CID 11795015
N,N',N'',N'''-Tetraacetylspermine
CID 567824

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[6-[3-(dimethylamino)propanoylamino]hexyl]propanamide?
The IUPAC name of 3-(dimethylamino)-N-[6-[3-(dimethylamino)propanoylamino]hexyl]propanamide (CID 3839560) is 3-(dimethylamino)-N-[6-[3-(dimethylamino)propanoylamino]hexyl]propanamide.
What is the SMILES notation for 3-(dimethylamino)-N-[6-[3-(dimethylamino)propanoylamino]hexyl]propanamide?
The canonical SMILES for 3-(dimethylamino)-N-[6-[3-(dimethylamino)propanoylamino]hexyl]propanamide is CN(C)CCC(=O)NCCCCCCNC(=O)CCN(C)C.
What is the InChIKey of 3-(dimethylamino)-N-[6-[3-(dimethylamino)propanoylamino]hexyl]propanamide?
The InChIKey is PTEGGEJXLRTQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O2/c1-19(2)13-9-15(21)17-11-7-5-6-8-12-18-16(22)10-14-20(3)4/h5-14H2,1-4H3,(H,17,21)(H,18,22).
What are the key properties of 3-(dimethylamino)-N-[6-[3-(dimethylamino)propanoylamino]hexyl]propanamide?
3-(dimethylamino)-N-[6-[3-(dimethylamino)propanoylamino]hexyl]propanamide has a molecular weight of 314.47 g/mol, XLogP of 0.68, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[6-[3-(dimethylamino)propanoylamino]hexyl]propanamide is sourced from PubChem (CID 3839560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).