N-[3-(dimethylamino)hex-5-enyl]-2-methylprop-2-enamide

C12H22N2O — CID 87504308

IUPACN-[3-(dimethylamino)hex-5-enyl]-2-methylprop-2-enamide
SMILESC=CCC(CCNC(=O)C(=C)C)N(C)C
InChIInChI=1S/C12H22N2O/c1-6-7-11(14(4)5)8-9-13-12(15)10(2)3/h6,11H,1-2,7-9H2,3-5H3,(H,13,15)
InChIKeyMZANQFCSEQXADF-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.58
Rot. Bonds7

About N-[3-(dimethylamino)hex-5-enyl]-2-methylprop-2-enamide

N-[3-(dimethylamino)hex-5-enyl]-2-methylprop-2-enamide (PubChem CID 87504308) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-[3-(dimethylamino)hex-5-enyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)hex-5-enyl]-2-methylprop-2-enamide
PubChem CID87504308
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-[3-(dimethylamino)hex-5-enyl]-2-methylprop-2-enamide
SMILESC=CCC(CCNC(=O)C(=C)C)N(C)C
InChIInChI=1S/C12H22N2O/c1-6-7-11(14(4)5)8-9-13-12(15)10(2)3/h6,11H,1-2,7-9H2,3-5H3,(H,13,15)
InChIKeyMZANQFCSEQXADF-UHFFFAOYSA-N
XLogP1.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)hex-5-enyl]-2-methylprop-2-enamide?
The IUPAC name of N-[3-(dimethylamino)hex-5-enyl]-2-methylprop-2-enamide (CID 87504308) is N-[3-(dimethylamino)hex-5-enyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[3-(dimethylamino)hex-5-enyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[3-(dimethylamino)hex-5-enyl]-2-methylprop-2-enamide is C=CCC(CCNC(=O)C(=C)C)N(C)C.
What is the InChIKey of N-[3-(dimethylamino)hex-5-enyl]-2-methylprop-2-enamide?
The InChIKey is MZANQFCSEQXADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-6-7-11(14(4)5)8-9-13-12(15)10(2)3/h6,11H,1-2,7-9H2,3-5H3,(H,13,15).
What are the key properties of N-[3-(dimethylamino)hex-5-enyl]-2-methylprop-2-enamide?
N-[3-(dimethylamino)hex-5-enyl]-2-methylprop-2-enamide has a molecular weight of 210.32 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)hex-5-enyl]-2-methylprop-2-enamide is sourced from PubChem (CID 87504308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).