2-butylbutanediamide

C8H16N2O2 — CID 19430168

IUPAC2-butylbutanediamide
SMILESCCCCC(CC(N)=O)C(N)=O
InChIInChI=1S/C8H16N2O2/c1-2-3-4-6(8(10)12)5-7(9)11/h6H,2-5H2,1H3,(H2,9,11)(H2,10,12)
InChIKeyJWOGBVUDDPQHJV-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.15
Rot. Bonds6

About 2-butylbutanediamide

2-butylbutanediamide (PubChem CID 19430168) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-butylbutanediamide.

Molecular Properties

Compound Name2-butylbutanediamide
PubChem CID19430168
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-butylbutanediamide
SMILESCCCCC(CC(N)=O)C(N)=O
InChIInChI=1S/C8H16N2O2/c1-2-3-4-6(8(10)12)5-7(9)11/h6H,2-5H2,1H3,(H2,9,11)(H2,10,12)
InChIKeyJWOGBVUDDPQHJV-UHFFFAOYSA-N
XLogP0.15
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butylbutanediamide?
The IUPAC name of 2-butylbutanediamide (CID 19430168) is 2-butylbutanediamide.
What is the SMILES notation for 2-butylbutanediamide?
The canonical SMILES for 2-butylbutanediamide is CCCCC(CC(N)=O)C(N)=O.
What is the InChIKey of 2-butylbutanediamide?
The InChIKey is JWOGBVUDDPQHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-2-3-4-6(8(10)12)5-7(9)11/h6H,2-5H2,1H3,(H2,9,11)(H2,10,12).
What are the key properties of 2-butylbutanediamide?
2-butylbutanediamide has a molecular weight of 172.23 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylbutanediamide is sourced from PubChem (CID 19430168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).