(E)-N-[2-(dimethylamino)ethyl]hept-2-enamide

C11H22N2O — CID 102117807

IUPAC(E)-N-[2-(dimethylamino)ethyl]hept-2-enamide
SMILESCCCC/C=C/C(=O)NCCN(C)C
InChIInChI=1S/C11H22N2O/c1-4-5-6-7-8-11(14)12-9-10-13(2)3/h7-8H,4-6,9-10H2,1-3H3,(H,12,14)/b8-7+
InChIKeyRJFFUJWSCKCJQN-BQYQJAHWSA-N
MW198.31 g/mol
LogP1.41
Rot. Bonds7

About (E)-N-[2-(dimethylamino)ethyl]hept-2-enamide

(E)-N-[2-(dimethylamino)ethyl]hept-2-enamide (PubChem CID 102117807) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (E)-N-[2-(dimethylamino)ethyl]hept-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(dimethylamino)ethyl]hept-2-enamide
PubChem CID102117807
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(E)-N-[2-(dimethylamino)ethyl]hept-2-enamide
SMILESCCCC/C=C/C(=O)NCCN(C)C
InChIInChI=1S/C11H22N2O/c1-4-5-6-7-8-11(14)12-9-10-13(2)3/h7-8H,4-6,9-10H2,1-3H3,(H,12,14)/b8-7+
InChIKeyRJFFUJWSCKCJQN-BQYQJAHWSA-N
XLogP1.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[3-[methyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide
CID 102116540
N-[2-(diethylamino)ethyl]dec-2-enamide
CID 123705769
N-[2-(icos-2-enoylamino)ethyl]icos-2-enamide
CID 87333364
(E)-N-[2-(dimethylamino)ethyl]non-4-enamide
CID 102117820
(E)-N-butyldec-2-enamide
CID 160628271
N-(2-sulfanylethyl)dec-2-enamide
CID 88633886
[[(E)-hept-2-enoyl]amino]methyl-trimethylazanium
CID 101274924
(E)-N-[3-[3-hydroxypropyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide
CID 101285798
(E)-N-[3-(diethylamino)propyl]dec-2-enamide
CID 86694810
(E)-N-butyl-6-chlorohex-2-enamide
CID 154707012
3-[[(E)-oct-2-enoyl]amino]propanoic acid
CID 101276344
N-propylhex-2-enamide
CID 88538823

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(dimethylamino)ethyl]hept-2-enamide?
The IUPAC name of (E)-N-[2-(dimethylamino)ethyl]hept-2-enamide (CID 102117807) is (E)-N-[2-(dimethylamino)ethyl]hept-2-enamide.
What is the SMILES notation for (E)-N-[2-(dimethylamino)ethyl]hept-2-enamide?
The canonical SMILES for (E)-N-[2-(dimethylamino)ethyl]hept-2-enamide is CCCC/C=C/C(=O)NCCN(C)C.
What is the InChIKey of (E)-N-[2-(dimethylamino)ethyl]hept-2-enamide?
The InChIKey is RJFFUJWSCKCJQN-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-5-6-7-8-11(14)12-9-10-13(2)3/h7-8H,4-6,9-10H2,1-3H3,(H,12,14)/b8-7+.
What are the key properties of (E)-N-[2-(dimethylamino)ethyl]hept-2-enamide?
(E)-N-[2-(dimethylamino)ethyl]hept-2-enamide has a molecular weight of 198.31 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(dimethylamino)ethyl]hept-2-enamide is sourced from PubChem (CID 102117807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).