N-hexyl-2-methylprop-2-enamide;N-methylmethanamine

C12H26N2O — CID 20566084

IUPACN-hexyl-2-methylprop-2-enamide;N-methylmethanamine
SMILESC=C(C)C(=O)NCCCCCC.CNC
InChIInChI=1S/C10H19NO.C2H7N/c1-4-5-6-7-8-11-10(12)9(2)3;1-3-2/h2,4-8H2,1,3H3,(H,11,12);3H,1-2H3
InChIKeyQUMJVIBNWSDIQE-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.09
Rot. Bonds6

About N-hexyl-2-methylprop-2-enamide;N-methylmethanamine

N-hexyl-2-methylprop-2-enamide;N-methylmethanamine (PubChem CID 20566084) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-hexyl-2-methylprop-2-enamide;N-methylmethanamine.

Molecular Properties

Compound NameN-hexyl-2-methylprop-2-enamide;N-methylmethanamine
PubChem CID20566084
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-hexyl-2-methylprop-2-enamide;N-methylmethanamine
SMILESC=C(C)C(=O)NCCCCCC.CNC
InChIInChI=1S/C10H19NO.C2H7N/c1-4-5-6-7-8-11-10(12)9(2)3;1-3-2/h2,4-8H2,1,3H3,(H,11,12);3H,1-2H3
InChIKeyQUMJVIBNWSDIQE-UHFFFAOYSA-N
XLogP2.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.09
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-hexyl-2-methylprop-2-enamide;N-methylmethanamine?
The IUPAC name of N-hexyl-2-methylprop-2-enamide;N-methylmethanamine (CID 20566084) is N-hexyl-2-methylprop-2-enamide;N-methylmethanamine.
What is the SMILES notation for N-hexyl-2-methylprop-2-enamide;N-methylmethanamine?
The canonical SMILES for N-hexyl-2-methylprop-2-enamide;N-methylmethanamine is C=C(C)C(=O)NCCCCCC.CNC.
What is the InChIKey of N-hexyl-2-methylprop-2-enamide;N-methylmethanamine?
The InChIKey is QUMJVIBNWSDIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.C2H7N/c1-4-5-6-7-8-11-10(12)9(2)3;1-3-2/h2,4-8H2,1,3H3,(H,11,12);3H,1-2H3.
What are the key properties of N-hexyl-2-methylprop-2-enamide;N-methylmethanamine?
N-hexyl-2-methylprop-2-enamide;N-methylmethanamine has a molecular weight of 214.35 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-methylprop-2-enamide;N-methylmethanamine is sourced from PubChem (CID 20566084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).