N'-tert-butyl-N-(3-methylbutyl)butanediamide

C13H26N2O2 — CID 5167699

IUPACN'-tert-butyl-N-(3-methylbutyl)butanediamide
SMILESCC(C)CCNC(=O)CCC(=O)NC(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-10(2)8-9-14-11(16)6-7-12(17)15-13(3,4)5/h10H,6-9H2,1-5H3,(H,14,16)(H,15,17)
InChIKeyTVKMMNRORZNBRU-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.84
Rot. Bonds6

About N'-tert-butyl-N-(3-methylbutyl)butanediamide

N'-tert-butyl-N-(3-methylbutyl)butanediamide (PubChem CID 5167699) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N'-tert-butyl-N-(3-methylbutyl)butanediamide.

Molecular Properties

Compound NameN'-tert-butyl-N-(3-methylbutyl)butanediamide
PubChem CID5167699
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN'-tert-butyl-N-(3-methylbutyl)butanediamide
SMILESCC(C)CCNC(=O)CCC(=O)NC(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-10(2)8-9-14-11(16)6-7-12(17)15-13(3,4)5/h10H,6-9H2,1-5H3,(H,14,16)(H,15,17)
InChIKeyTVKMMNRORZNBRU-UHFFFAOYSA-N
XLogP1.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(3-methylbutyl)butanediamide?
The IUPAC name of N'-tert-butyl-N-(3-methylbutyl)butanediamide (CID 5167699) is N'-tert-butyl-N-(3-methylbutyl)butanediamide.
What is the SMILES notation for N'-tert-butyl-N-(3-methylbutyl)butanediamide?
The canonical SMILES for N'-tert-butyl-N-(3-methylbutyl)butanediamide is CC(C)CCNC(=O)CCC(=O)NC(C)(C)C.
What is the InChIKey of N'-tert-butyl-N-(3-methylbutyl)butanediamide?
The InChIKey is TVKMMNRORZNBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)8-9-14-11(16)6-7-12(17)15-13(3,4)5/h10H,6-9H2,1-5H3,(H,14,16)(H,15,17).
What are the key properties of N'-tert-butyl-N-(3-methylbutyl)butanediamide?
N'-tert-butyl-N-(3-methylbutyl)butanediamide has a molecular weight of 242.36 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(3-methylbutyl)butanediamide is sourced from PubChem (CID 5167699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).