N-[3-[hexyl(methyl)amino]propyl]prop-2-enamide

C13H26N2O — CID 129275452

IUPACN-[3-[hexyl(methyl)amino]propyl]prop-2-enamide
SMILESC=CC(=O)NCCCN(C)CCCCCC
InChIInChI=1S/C13H26N2O/c1-4-6-7-8-11-15(3)12-9-10-14-13(16)5-2/h5H,2,4,6-12H2,1,3H3,(H,14,16)
InChIKeyZWBYCEJOMCOJBJ-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.19
Rot. Bonds10

About N-[3-[hexyl(methyl)amino]propyl]prop-2-enamide

N-[3-[hexyl(methyl)amino]propyl]prop-2-enamide (PubChem CID 129275452) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[3-[hexyl(methyl)amino]propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[hexyl(methyl)amino]propyl]prop-2-enamide
PubChem CID129275452
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[3-[hexyl(methyl)amino]propyl]prop-2-enamide
SMILESC=CC(=O)NCCCN(C)CCCCCC
InChIInChI=1S/C13H26N2O/c1-4-6-7-8-11-15(3)12-9-10-14-13(16)5-2/h5H,2,4,6-12H2,1,3H3,(H,14,16)
InChIKeyZWBYCEJOMCOJBJ-UHFFFAOYSA-N
XLogP2.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.19
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

N-[3-[12-(dimethylamino)dodecyl-methylamino]propyl]prop-2-enamide
CID 118567429
N-[3-(dioctylamino)propyl]prop-2-enamide
CID 54306964
N-heptadecylprop-2-enamide
CID 20727742
bis(N,N-dimethyldodecan-1-amine);N-propylprop-2-enamide;hydroiodide
CID 173363962
N-[3-[hexyl(methyl)amino]propyl]-2-hydroxyiminoacetamide
CID 6806051
carbonic acid;N-hexylprop-2-enamide
CID 22445987
N-butylprop-2-enamide;hydrofluoride
CID 174533496
N-ethenyl-N-methylacetamide;N-octadecylprop-2-enamide
CID 138470318
N-[3-(hexylamino)propyl]prop-2-enamide
CID 87503959
1-dodecyl-3-[3-[3-(dodecylcarbamoylamino)propyl-methylamino]propyl]urea
CID 101389014
N-[(Z)-nonadec-10-enyl]prop-2-enamide
CID 87771405
(E)-N-[3-[methyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide
CID 102116540

Frequently Asked Questions

What is the IUPAC name of N-[3-[hexyl(methyl)amino]propyl]prop-2-enamide?
The IUPAC name of N-[3-[hexyl(methyl)amino]propyl]prop-2-enamide (CID 129275452) is N-[3-[hexyl(methyl)amino]propyl]prop-2-enamide.
What is the SMILES notation for N-[3-[hexyl(methyl)amino]propyl]prop-2-enamide?
The canonical SMILES for N-[3-[hexyl(methyl)amino]propyl]prop-2-enamide is C=CC(=O)NCCCN(C)CCCCCC.
What is the InChIKey of N-[3-[hexyl(methyl)amino]propyl]prop-2-enamide?
The InChIKey is ZWBYCEJOMCOJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-6-7-8-11-15(3)12-9-10-14-13(16)5-2/h5H,2,4,6-12H2,1,3H3,(H,14,16).
What are the key properties of N-[3-[hexyl(methyl)amino]propyl]prop-2-enamide?
N-[3-[hexyl(methyl)amino]propyl]prop-2-enamide has a molecular weight of 226.36 g/mol, XLogP of 2.19, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[hexyl(methyl)amino]propyl]prop-2-enamide is sourced from PubChem (CID 129275452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).