2-[[(3Z,5Z)-5-methylhepta-3,5-dienyl]amino]acetamide

C10H18N2O — CID 146255629

IUPAC2-[[(3Z,5Z)-5-methylhepta-3,5-dienyl]amino]acetamide
SMILESC/C=C(C)\C=C/CCNCC(N)=O
InChIInChI=1S/C10H18N2O/c1-3-9(2)6-4-5-7-12-8-10(11)13/h3-4,6,12H,5,7-8H2,1-2H3,(H2,11,13)/b6-4-,9-3-
InChIKeyKVEQJDSFPJYHHK-NQQXAEPDSA-N
MW182.27 g/mol
LogP0.97
Rot. Bonds6

About 2-[[(3Z,5Z)-5-methylhepta-3,5-dienyl]amino]acetamide

2-[[(3Z,5Z)-5-methylhepta-3,5-dienyl]amino]acetamide (PubChem CID 146255629) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-[[(3Z,5Z)-5-methylhepta-3,5-dienyl]amino]acetamide.

Molecular Properties

Compound Name2-[[(3Z,5Z)-5-methylhepta-3,5-dienyl]amino]acetamide
PubChem CID146255629
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-[[(3Z,5Z)-5-methylhepta-3,5-dienyl]amino]acetamide
SMILESC/C=C(C)\C=C/CCNCC(N)=O
InChIInChI=1S/C10H18N2O/c1-3-9(2)6-4-5-7-12-8-10(11)13/h3-4,6,12H,5,7-8H2,1-2H3,(H2,11,13)/b6-4-,9-3-
InChIKeyKVEQJDSFPJYHHK-NQQXAEPDSA-N
XLogP0.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3Z,5Z)-5-methylhepta-3,5-dienyl]amino]acetamide?
The IUPAC name of 2-[[(3Z,5Z)-5-methylhepta-3,5-dienyl]amino]acetamide (CID 146255629) is 2-[[(3Z,5Z)-5-methylhepta-3,5-dienyl]amino]acetamide.
What is the SMILES notation for 2-[[(3Z,5Z)-5-methylhepta-3,5-dienyl]amino]acetamide?
The canonical SMILES for 2-[[(3Z,5Z)-5-methylhepta-3,5-dienyl]amino]acetamide is C/C=C(C)\C=C/CCNCC(N)=O.
What is the InChIKey of 2-[[(3Z,5Z)-5-methylhepta-3,5-dienyl]amino]acetamide?
The InChIKey is KVEQJDSFPJYHHK-NQQXAEPDSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-9(2)6-4-5-7-12-8-10(11)13/h3-4,6,12H,5,7-8H2,1-2H3,(H2,11,13)/b6-4-,9-3-.
What are the key properties of 2-[[(3Z,5Z)-5-methylhepta-3,5-dienyl]amino]acetamide?
2-[[(3Z,5Z)-5-methylhepta-3,5-dienyl]amino]acetamide has a molecular weight of 182.27 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3Z,5Z)-5-methylhepta-3,5-dienyl]amino]acetamide is sourced from PubChem (CID 146255629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).