N-[4-(dimethylamino)hexyl]prop-2-enamide

C11H22N2O — CID 22764760

IUPACN-[4-(dimethylamino)hexyl]prop-2-enamide
SMILESC=CC(=O)NCCCC(CC)N(C)C
InChIInChI=1S/C11H22N2O/c1-5-10(13(3)4)8-7-9-12-11(14)6-2/h6,10H,2,5,7-9H2,1,3-4H3,(H,12,14)
InChIKeyGLVRNSAWFKIFON-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.41
Rot. Bonds7

About N-[4-(dimethylamino)hexyl]prop-2-enamide

N-[4-(dimethylamino)hexyl]prop-2-enamide (PubChem CID 22764760) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-[4-(dimethylamino)hexyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)hexyl]prop-2-enamide
PubChem CID22764760
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-[4-(dimethylamino)hexyl]prop-2-enamide
SMILESC=CC(=O)NCCCC(CC)N(C)C
InChIInChI=1S/C11H22N2O/c1-5-10(13(3)4)8-7-9-12-11(14)6-2/h6,10H,2,5,7-9H2,1,3-4H3,(H,12,14)
InChIKeyGLVRNSAWFKIFON-UHFFFAOYSA-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

3-[dimethyl-[3-(prop-2-enoylamino)propyl]phosphaniumyl]propyl-dimethyl-[3-(prop-2-enoylamino)propyl]phosphanium
CID 162769514
N-(5-methyl-4-oxoheptyl)prop-2-enamide
CID 159101559
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
N-butylprop-2-enamide;hydrofluoride
CID 174533496
N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
N-[3-(dimethylamino)-4-[4-[2-(dimethylamino)-4-(prop-2-enoylamino)butyl]phenyl]butyl]prop-2-enamide;dihydrobromide
CID 175806570
N,N-dimethylmethanamine;N-propylprop-2-enamide;hydrochloride
CID 173003472
N-heptadecylprop-2-enamide
CID 20727742
N-[3-(prop-2-enoylamino)propyl]propanamide
CID 45119504
N-[3-[di(propan-2-yl)amino]propyl]prop-2-enamide
CID 87733946
N-[3-[hexyl(methyl)amino]propyl]prop-2-enamide
CID 129275452
N,N-dimethyloct-7-en-3-amine
CID 142842178

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)hexyl]prop-2-enamide?
The IUPAC name of N-[4-(dimethylamino)hexyl]prop-2-enamide (CID 22764760) is N-[4-(dimethylamino)hexyl]prop-2-enamide.
What is the SMILES notation for N-[4-(dimethylamino)hexyl]prop-2-enamide?
The canonical SMILES for N-[4-(dimethylamino)hexyl]prop-2-enamide is C=CC(=O)NCCCC(CC)N(C)C.
What is the InChIKey of N-[4-(dimethylamino)hexyl]prop-2-enamide?
The InChIKey is GLVRNSAWFKIFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-5-10(13(3)4)8-7-9-12-11(14)6-2/h6,10H,2,5,7-9H2,1,3-4H3,(H,12,14).
What are the key properties of N-[4-(dimethylamino)hexyl]prop-2-enamide?
N-[4-(dimethylamino)hexyl]prop-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 N-[4-(dimethylamino)hexyl]prop-2-enamide is sourced from PubChem (CID 22764760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).