6-(dimethylamino)-N-dodecylhexanamide;hydroiodide

C20H43IN2O — CID 158720185

IUPAC6-(dimethylamino)-N-dodecylhexanamide;hydroiodide
SMILESCCCCCCCCCCCCNC(=O)CCCCCN(C)C.I
InChIInChI=1S/C20H42N2O.HI/c1-4-5-6-7-8-9-10-11-12-15-18-21-20(23)17-14-13-16-19-22(2)3;/h4-19H2,1-3H3,(H,21,23);1H
InChIKeyIJUWZMWMWYYJSZ-UHFFFAOYSA-N
MW454.48 g/mol
LogP5.76
Rot. Bonds17

About 6-(dimethylamino)-N-dodecylhexanamide;hydroiodide

6-(dimethylamino)-N-dodecylhexanamide;hydroiodide (PubChem CID 158720185) has the molecular formula C20H43IN2O and a molecular weight of 454.48 g/mol. Its IUPAC name is 6-(dimethylamino)-N-dodecylhexanamide;hydroiodide.

Molecular Properties

Compound Name6-(dimethylamino)-N-dodecylhexanamide;hydroiodide
PubChem CID158720185
Molecular FormulaC20H43IN2O
Molecular Weight454.48 g/mol
Exact Mass454.24
IUPAC Name6-(dimethylamino)-N-dodecylhexanamide;hydroiodide
SMILESCCCCCCCCCCCCNC(=O)CCCCCN(C)C.I
InChIInChI=1S/C20H42N2O.HI/c1-4-5-6-7-8-9-10-11-12-15-18-21-20(23)17-14-13-16-19-22(2)3;/h4-19H2,1-3H3,(H,21,23);1H
InChIKeyIJUWZMWMWYYJSZ-UHFFFAOYSA-N
XLogP5.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.48
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[4-(dimethylamino)butyl]docosanamide
CID 87265167
N-[3-(dimethylamino)propyl]nonanamide
CID 3395805
4-(dimethylamino)-N-octadecylbutanamide
CID 126689670
N-[3-(dimethylamino)propyl]octadecanamide;hydrochloride
CID 3019212
18-(dimethylamino)-N-propyloctadecanamide
CID 87286031
N-[3-(dimethylamino)propyl]tetradecanamide;phosphoric acid
CID 71587478
N-[4-(dimethylamino)butyl]-6-hexadecyldocos-5-enamide
CID 54673550
N-[3-(diethylamino)propyl]docosanamide;N-[3-(dimethylamino)propyl]hexadecanamide
CID 175423040
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-hexadecylhexanamide
CID 4953738
N-pentylicosanamide
CID 139961886
N-nonyltridecanamide
CID 154228217

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-N-dodecylhexanamide;hydroiodide?
The IUPAC name of 6-(dimethylamino)-N-dodecylhexanamide;hydroiodide (CID 158720185) is 6-(dimethylamino)-N-dodecylhexanamide;hydroiodide.
What is the SMILES notation for 6-(dimethylamino)-N-dodecylhexanamide;hydroiodide?
The canonical SMILES for 6-(dimethylamino)-N-dodecylhexanamide;hydroiodide is CCCCCCCCCCCCNC(=O)CCCCCN(C)C.I.
What is the InChIKey of 6-(dimethylamino)-N-dodecylhexanamide;hydroiodide?
The InChIKey is IJUWZMWMWYYJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N2O.HI/c1-4-5-6-7-8-9-10-11-12-15-18-21-20(23)17-14-13-16-19-22(2)3;/h4-19H2,1-3H3,(H,21,23);1H.
What are the key properties of 6-(dimethylamino)-N-dodecylhexanamide;hydroiodide?
6-(dimethylamino)-N-dodecylhexanamide;hydroiodide has a molecular weight of 454.48 g/mol, XLogP of 5.76, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-N-dodecylhexanamide;hydroiodide is sourced from PubChem (CID 158720185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).