2-[[(3E)-6-methylhepta-3,5-dien-3-yl]amino]acetamide

C10H18N2O — CID 143398046

IUPAC2-[[(3E)-6-methylhepta-3,5-dien-3-yl]amino]acetamide
SMILESCC/C(=C\C=C(C)C)NCC(N)=O
InChIInChI=1S/C10H18N2O/c1-4-9(6-5-8(2)3)12-7-10(11)13/h5-6,12H,4,7H2,1-3H3,(H2,11,13)/b9-6+
InChIKeyABXGXSOZNPSHTN-RMKNXTFCSA-N
MW182.27 g/mol
LogP1.32
Rot. Bonds5

About 2-[[(3E)-6-methylhepta-3,5-dien-3-yl]amino]acetamide

2-[[(3E)-6-methylhepta-3,5-dien-3-yl]amino]acetamide (PubChem CID 143398046) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-[[(3E)-6-methylhepta-3,5-dien-3-yl]amino]acetamide.

Molecular Properties

Compound Name2-[[(3E)-6-methylhepta-3,5-dien-3-yl]amino]acetamide
PubChem CID143398046
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-[[(3E)-6-methylhepta-3,5-dien-3-yl]amino]acetamide
SMILESCC/C(=C\C=C(C)C)NCC(N)=O
InChIInChI=1S/C10H18N2O/c1-4-9(6-5-8(2)3)12-7-10(11)13/h5-6,12H,4,7H2,1-3H3,(H2,11,13)/b9-6+
InChIKeyABXGXSOZNPSHTN-RMKNXTFCSA-N
XLogP1.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[(3E)-6-methylhepta-3,5-dien-3-yl]amino]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[(3E)-6-methylhepta-3,5-dien-3-yl]amino]acetamide?
The IUPAC name of 2-[[(3E)-6-methylhepta-3,5-dien-3-yl]amino]acetamide (CID 143398046) is 2-[[(3E)-6-methylhepta-3,5-dien-3-yl]amino]acetamide.
What is the SMILES notation for 2-[[(3E)-6-methylhepta-3,5-dien-3-yl]amino]acetamide?
The canonical SMILES for 2-[[(3E)-6-methylhepta-3,5-dien-3-yl]amino]acetamide is CC/C(=C\C=C(C)C)NCC(N)=O.
What is the InChIKey of 2-[[(3E)-6-methylhepta-3,5-dien-3-yl]amino]acetamide?
The InChIKey is ABXGXSOZNPSHTN-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-9(6-5-8(2)3)12-7-10(11)13/h5-6,12H,4,7H2,1-3H3,(H2,11,13)/b9-6+.
What are the key properties of 2-[[(3E)-6-methylhepta-3,5-dien-3-yl]amino]acetamide?
2-[[(3E)-6-methylhepta-3,5-dien-3-yl]amino]acetamide has a molecular weight of 182.27 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3E)-6-methylhepta-3,5-dien-3-yl]amino]acetamide is sourced from PubChem (CID 143398046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).