N,N'-bis(3-aminopropyl)-2,2,3-trimethylbutanediamide

C13H28N4O2 — CID 88553411

IUPACN,N'-bis(3-aminopropyl)-2,2,3-trimethylbutanediamide
SMILESCC(C(=O)NCCCN)C(C)(C)C(=O)NCCCN
InChIInChI=1S/C13H28N4O2/c1-10(11(18)16-8-4-6-14)13(2,3)12(19)17-9-5-7-15/h10H,4-9,14-15H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyCSMGWFNFESNFBC-UHFFFAOYSA-N
MW272.39 g/mol
LogP-0.42
Rot. Bonds9

About N,N'-bis(3-aminopropyl)-2,2,3-trimethylbutanediamide

N,N'-bis(3-aminopropyl)-2,2,3-trimethylbutanediamide (PubChem CID 88553411) has the molecular formula C13H28N4O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is N,N'-bis(3-aminopropyl)-2,2,3-trimethylbutanediamide.

Molecular Properties

Compound NameN,N'-bis(3-aminopropyl)-2,2,3-trimethylbutanediamide
PubChem CID88553411
Molecular FormulaC13H28N4O2
Molecular Weight272.39 g/mol
Exact Mass272.22
IUPAC NameN,N'-bis(3-aminopropyl)-2,2,3-trimethylbutanediamide
SMILESCC(C(=O)NCCCN)C(C)(C)C(=O)NCCCN
InChIInChI=1S/C13H28N4O2/c1-10(11(18)16-8-4-6-14)13(2,3)12(19)17-9-5-7-15/h10H,4-9,14-15H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyCSMGWFNFESNFBC-UHFFFAOYSA-N
XLogP-0.42
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N'-bis(3-aminopropyl)-2,2,3-trimethylbutanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-aminopropyl)-2-methylpropanamide;hydrochloride
CID 71757297
N-(3-aminopropyl)-2-ethyl-2-methylbutanamide
CID 88552246
N-[3-[3-(3-aminopropylamino)propylamino]propyl]-2-methylpropanamide
CID 154594320
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-methylpropanamide
CID 154982765
N-(3-aminopropyl)-3-hydroxy-2-methylpropanamide
CID 168915503
4-amino-N-(3-aminopropyl)-2-methylbutanamide
CID 80543775
N-(4-aminobutyl)-2,2-dimethylbutanamide
CID 62677618
4-(3-aminopropylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 56942187
2-(aminomethyl)-N-(3-aminopropyl)-3-methylbutanamide
CID 65229477
N-(7-aminoheptyl)-2-methylpropanamide
CID 89281092
N-[4-(3-aminopropylamino)butyl]-2,2-dihydroxyacetamide;trihydrochloride
CID 135056308
(2R)-2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide
CID 103929631

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(3-aminopropyl)-2,2,3-trimethylbutanediamide?
The IUPAC name of N,N'-bis(3-aminopropyl)-2,2,3-trimethylbutanediamide (CID 88553411) is N,N'-bis(3-aminopropyl)-2,2,3-trimethylbutanediamide.
What is the SMILES notation for N,N'-bis(3-aminopropyl)-2,2,3-trimethylbutanediamide?
The canonical SMILES for N,N'-bis(3-aminopropyl)-2,2,3-trimethylbutanediamide is CC(C(=O)NCCCN)C(C)(C)C(=O)NCCCN.
What is the InChIKey of N,N'-bis(3-aminopropyl)-2,2,3-trimethylbutanediamide?
The InChIKey is CSMGWFNFESNFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O2/c1-10(11(18)16-8-4-6-14)13(2,3)12(19)17-9-5-7-15/h10H,4-9,14-15H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N,N'-bis(3-aminopropyl)-2,2,3-trimethylbutanediamide?
N,N'-bis(3-aminopropyl)-2,2,3-trimethylbutanediamide has a molecular weight of 272.39 g/mol, XLogP of -0.42, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3-aminopropyl)-2,2,3-trimethylbutanediamide is sourced from PubChem (CID 88553411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).