2-butylhex-3-enediamide

C10H18N2O2 — CID 56986443

IUPAC2-butylhex-3-enediamide
SMILESCCCCC(C=CCC(N)=O)C(N)=O
InChIInChI=1S/C10H18N2O2/c1-2-3-5-8(10(12)14)6-4-7-9(11)13/h4,6,8H,2-3,5,7H2,1H3,(H2,11,13)(H2,12,14)
InChIKeyRLKGSRWHJAMASG-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.71
Rot. Bonds7

About 2-butylhex-3-enediamide

2-butylhex-3-enediamide (PubChem CID 56986443) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-butylhex-3-enediamide.

Molecular Properties

Compound Name2-butylhex-3-enediamide
PubChem CID56986443
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-butylhex-3-enediamide
SMILESCCCCC(C=CCC(N)=O)C(N)=O
InChIInChI=1S/C10H18N2O2/c1-2-3-5-8(10(12)14)6-4-7-9(11)13/h4,6,8H,2-3,5,7H2,1H3,(H2,11,13)(H2,12,14)
InChIKeyRLKGSRWHJAMASG-UHFFFAOYSA-N
XLogP0.71
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-butylhex-3-enediamide?
The IUPAC name of 2-butylhex-3-enediamide (CID 56986443) is 2-butylhex-3-enediamide.
What is the SMILES notation for 2-butylhex-3-enediamide?
The canonical SMILES for 2-butylhex-3-enediamide is CCCCC(C=CCC(N)=O)C(N)=O.
What is the InChIKey of 2-butylhex-3-enediamide?
The InChIKey is RLKGSRWHJAMASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-2-3-5-8(10(12)14)6-4-7-9(11)13/h4,6,8H,2-3,5,7H2,1H3,(H2,11,13)(H2,12,14).
What are the key properties of 2-butylhex-3-enediamide?
2-butylhex-3-enediamide has a molecular weight of 198.27 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylhex-3-enediamide is sourced from PubChem (CID 56986443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).