N,N'-bis(3-methylbutyl)propanediamide

C13H26N2O2 — CID 2396523

IUPACN,N'-bis(3-methylbutyl)propanediamide
SMILESCC(C)CCNC(=O)CC(=O)NCCC(C)C
InChIInChI=1S/C13H26N2O2/c1-10(2)5-7-14-12(16)9-13(17)15-8-6-11(3)4/h10-11H,5-9H2,1-4H3,(H,14,16)(H,15,17)
InChIKeyUCTJMAHVRZXADJ-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.70
Rot. Bonds8

About N,N'-bis(3-methylbutyl)propanediamide

N,N'-bis(3-methylbutyl)propanediamide (PubChem CID 2396523) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N,N'-bis(3-methylbutyl)propanediamide.

Molecular Properties

Compound NameN,N'-bis(3-methylbutyl)propanediamide
PubChem CID2396523
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN,N'-bis(3-methylbutyl)propanediamide
SMILESCC(C)CCNC(=O)CC(=O)NCCC(C)C
InChIInChI=1S/C13H26N2O2/c1-10(2)5-7-14-12(16)9-13(17)15-8-6-11(3)4/h10-11H,5-9H2,1-4H3,(H,14,16)(H,15,17)
InChIKeyUCTJMAHVRZXADJ-UHFFFAOYSA-N
XLogP1.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(3-methylbutyl)propanediamide?
The IUPAC name of N,N'-bis(3-methylbutyl)propanediamide (CID 2396523) is N,N'-bis(3-methylbutyl)propanediamide.
What is the SMILES notation for N,N'-bis(3-methylbutyl)propanediamide?
The canonical SMILES for N,N'-bis(3-methylbutyl)propanediamide is CC(C)CCNC(=O)CC(=O)NCCC(C)C.
What is the InChIKey of N,N'-bis(3-methylbutyl)propanediamide?
The InChIKey is UCTJMAHVRZXADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)5-7-14-12(16)9-13(17)15-8-6-11(3)4/h10-11H,5-9H2,1-4H3,(H,14,16)(H,15,17).
What are the key properties of N,N'-bis(3-methylbutyl)propanediamide?
N,N'-bis(3-methylbutyl)propanediamide has a molecular weight of 242.36 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3-methylbutyl)propanediamide is sourced from PubChem (CID 2396523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).