N-hexylprop-2-enamide;N-methylmethanamine

C11H24N2O — CID 20566081

IUPACN-hexylprop-2-enamide;N-methylmethanamine
SMILESC=CC(=O)NCCCCCC.CNC
InChIInChI=1S/C9H17NO.C2H7N/c1-3-5-6-7-8-10-9(11)4-2;1-3-2/h4H,2-3,5-8H2,1H3,(H,10,11);3H,1-2H3
InChIKeyHRXHGTNEOBQGRI-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.70
Rot. Bonds6

About N-hexylprop-2-enamide;N-methylmethanamine

N-hexylprop-2-enamide;N-methylmethanamine (PubChem CID 20566081) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N-hexylprop-2-enamide;N-methylmethanamine.

Molecular Properties

Compound NameN-hexylprop-2-enamide;N-methylmethanamine
PubChem CID20566081
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN-hexylprop-2-enamide;N-methylmethanamine
SMILESC=CC(=O)NCCCCCC.CNC
InChIInChI=1S/C9H17NO.C2H7N/c1-3-5-6-7-8-10-9(11)4-2;1-3-2/h4H,2-3,5-8H2,1H3,(H,10,11);3H,1-2H3
InChIKeyHRXHGTNEOBQGRI-UHFFFAOYSA-N
XLogP1.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-hexylprop-2-enamide;N-methylmethanamine?
The IUPAC name of N-hexylprop-2-enamide;N-methylmethanamine (CID 20566081) is N-hexylprop-2-enamide;N-methylmethanamine.
What is the SMILES notation for N-hexylprop-2-enamide;N-methylmethanamine?
The canonical SMILES for N-hexylprop-2-enamide;N-methylmethanamine is C=CC(=O)NCCCCCC.CNC.
What is the InChIKey of N-hexylprop-2-enamide;N-methylmethanamine?
The InChIKey is HRXHGTNEOBQGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C2H7N/c1-3-5-6-7-8-10-9(11)4-2;1-3-2/h4H,2-3,5-8H2,1H3,(H,10,11);3H,1-2H3.
What are the key properties of N-hexylprop-2-enamide;N-methylmethanamine?
N-hexylprop-2-enamide;N-methylmethanamine has a molecular weight of 200.33 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexylprop-2-enamide;N-methylmethanamine is sourced from PubChem (CID 20566081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).