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

C12H22N2O — CID 129313292

IUPACN-[(3E,5E)-6-(dimethylamino)-2-methylhepta-3,5-dien-3-yl]acetamide
SMILESCC(=O)N/C(=C/C=C(\C)N(C)C)C(C)C
InChIInChI=1S/C12H22N2O/c1-9(2)12(13-11(4)15)8-7-10(3)14(5)6/h7-9H,1-6H3,(H,13,15)/b10-7+,12-8+
InChIKeyVOMFTTISZKJXDU-SMTGYRLFSA-N
MW210.32 g/mol
LogP2.13
Rot. Bonds4

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

N-[(3E,5E)-6-(dimethylamino)-2-methylhepta-3,5-dien-3-yl]acetamide (PubChem CID 129313292) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-[(3E,5E)-6-(dimethylamino)-2-methylhepta-3,5-dien-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3E,5E)-6-(dimethylamino)-2-methylhepta-3,5-dien-3-yl]acetamide
PubChem CID129313292
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-[(3E,5E)-6-(dimethylamino)-2-methylhepta-3,5-dien-3-yl]acetamide
SMILESCC(=O)N/C(=C/C=C(\C)N(C)C)C(C)C
InChIInChI=1S/C12H22N2O/c1-9(2)12(13-11(4)15)8-7-10(3)14(5)6/h7-9H,1-6H3,(H,13,15)/b10-7+,12-8+
InChIKeyVOMFTTISZKJXDU-SMTGYRLFSA-N
XLogP2.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3E,5E)-6-(dimethylamino)-2-methylhepta-3,5-dien-3-yl]acetamide?
The IUPAC name of N-[(3E,5E)-6-(dimethylamino)-2-methylhepta-3,5-dien-3-yl]acetamide (CID 129313292) is N-[(3E,5E)-6-(dimethylamino)-2-methylhepta-3,5-dien-3-yl]acetamide.
What is the SMILES notation for N-[(3E,5E)-6-(dimethylamino)-2-methylhepta-3,5-dien-3-yl]acetamide?
The canonical SMILES for N-[(3E,5E)-6-(dimethylamino)-2-methylhepta-3,5-dien-3-yl]acetamide is CC(=O)N/C(=C/C=C(\C)N(C)C)C(C)C.
What is the InChIKey of N-[(3E,5E)-6-(dimethylamino)-2-methylhepta-3,5-dien-3-yl]acetamide?
The InChIKey is VOMFTTISZKJXDU-SMTGYRLFSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9(2)12(13-11(4)15)8-7-10(3)14(5)6/h7-9H,1-6H3,(H,13,15)/b10-7+,12-8+.
What are the key properties of N-[(3E,5E)-6-(dimethylamino)-2-methylhepta-3,5-dien-3-yl]acetamide?
N-[(3E,5E)-6-(dimethylamino)-2-methylhepta-3,5-dien-3-yl]acetamide has a molecular weight of 210.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5E)-6-(dimethylamino)-2-methylhepta-3,5-dien-3-yl]acetamide is sourced from PubChem (CID 129313292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).