N',N'-bis[4-(dimethylamino)butyl]propanediamide

C15H32N4O2 — CID 172710521

IUPACN',N'-bis[4-(dimethylamino)butyl]propanediamide
SMILESCN(C)CCCCN(CCCCN(C)C)C(=O)CC(N)=O
InChIInChI=1S/C15H32N4O2/c1-17(2)9-5-7-11-19(15(21)13-14(16)20)12-8-6-10-18(3)4/h5-13H2,1-4H3,(H2,16,20)
InChIKeyFELSRXAPGGNURE-UHFFFAOYSA-N
MW300.45 g/mol
LogP0.37
Rot. Bonds12

About N',N'-bis[4-(dimethylamino)butyl]propanediamide

N',N'-bis[4-(dimethylamino)butyl]propanediamide (PubChem CID 172710521) has the molecular formula C15H32N4O2 and a molecular weight of 300.45 g/mol. Its IUPAC name is N',N'-bis[4-(dimethylamino)butyl]propanediamide.

Molecular Properties

Compound NameN',N'-bis[4-(dimethylamino)butyl]propanediamide
PubChem CID172710521
Molecular FormulaC15H32N4O2
Molecular Weight300.45 g/mol
Exact Mass300.25
IUPAC NameN',N'-bis[4-(dimethylamino)butyl]propanediamide
SMILESCN(C)CCCCN(CCCCN(C)C)C(=O)CC(N)=O
InChIInChI=1S/C15H32N4O2/c1-17(2)9-5-7-11-19(15(21)13-14(16)20)12-8-6-10-18(3)4/h5-13H2,1-4H3,(H2,16,20)
InChIKeyFELSRXAPGGNURE-UHFFFAOYSA-N
XLogP0.37
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N',N'-bis[3-(dimethylamino)propyl]pentanediamide
CID 141463715
N'-ethyl-N'-hexylpropanediamide
CID 174895850
2-chloro-N,N-bis[3-(dimethylamino)propyl]acetamide
CID 60809657
3-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-3-oxopropanoic acid
CID 62229917
(3Z)-3-amino-N,N-dibutyl-3-hydroxyiminopropanamide
CID 43155922
N,N-dimethylhexan-1-amine;hexanediamide
CID 174907483
3-(dimethylamino)propylsulfanylurea
CID 174340233
N-[3-(dimethylamino)propyl]-N-propylpropanamide
CID 142178242
N',N'-dioctylhexanediamide
CID 53437404
N,N-bis[3-(dimethylamino)propyl]decanamide
CID 86204992
N-(3-amino-3-sulfanylidenepropyl)-N-[3-(dimethylamino)propyl]-2-methoxyacetamide
CID 82104066
3-(dipentylamino)-3-oxopropanoic acid
CID 55049301

Frequently Asked Questions

What is the IUPAC name of N',N'-bis[4-(dimethylamino)butyl]propanediamide?
The IUPAC name of N',N'-bis[4-(dimethylamino)butyl]propanediamide (CID 172710521) is N',N'-bis[4-(dimethylamino)butyl]propanediamide.
What is the SMILES notation for N',N'-bis[4-(dimethylamino)butyl]propanediamide?
The canonical SMILES for N',N'-bis[4-(dimethylamino)butyl]propanediamide is CN(C)CCCCN(CCCCN(C)C)C(=O)CC(N)=O.
What is the InChIKey of N',N'-bis[4-(dimethylamino)butyl]propanediamide?
The InChIKey is FELSRXAPGGNURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O2/c1-17(2)9-5-7-11-19(15(21)13-14(16)20)12-8-6-10-18(3)4/h5-13H2,1-4H3,(H2,16,20).
What are the key properties of N',N'-bis[4-(dimethylamino)butyl]propanediamide?
N',N'-bis[4-(dimethylamino)butyl]propanediamide has a molecular weight of 300.45 g/mol, XLogP of 0.37, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis[4-(dimethylamino)butyl]propanediamide is sourced from PubChem (CID 172710521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).