N-dodecyl-N-methylaniline;hydrochloride

C19H34ClN — CID 23333551

IUPACN-dodecyl-N-methylaniline;hydrochloride
SMILESCCCCCCCCCCCCN(C)c1ccccc1.Cl
InChIInChI=1S/C19H33N.ClH/c1-3-4-5-6-7-8-9-10-11-15-18-20(2)19-16-13-12-14-17-19;/h12-14,16-17H,3-11,15,18H2,1-2H3;1H
InChIKeyWNRKGXVUNMNCCG-UHFFFAOYSA-N
MW311.94 g/mol
LogP6.47
Rot. Bonds12

About N-dodecyl-N-methylaniline;hydrochloride

N-dodecyl-N-methylaniline;hydrochloride (PubChem CID 23333551) has the molecular formula C19H34ClN and a molecular weight of 311.94 g/mol. Its IUPAC name is N-dodecyl-N-methylaniline;hydrochloride.

Molecular Properties

Compound NameN-dodecyl-N-methylaniline;hydrochloride
PubChem CID23333551
Molecular FormulaC19H34ClN
Molecular Weight311.94 g/mol
Exact Mass311.24
IUPAC NameN-dodecyl-N-methylaniline;hydrochloride
SMILESCCCCCCCCCCCCN(C)c1ccccc1.Cl
InChIInChI=1S/C19H33N.ClH/c1-3-4-5-6-7-8-9-10-11-15-18-20(2)19-16-13-12-14-17-19;/h12-14,16-17H,3-11,15,18H2,1-2H3;1H
InChIKeyWNRKGXVUNMNCCG-UHFFFAOYSA-N
XLogP6.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.94
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-heptyl-N-methylaniline
CID 54015540
N-dodecyl-N-methylaniline;pyridine
CID 22157792
N'-hexoxy-N-methyl-N,N'-diphenylbutane-1,4-diamine
CID 59961378
N,N-di(nonyl)aniline
CID 22637953
N-heptyl-N-pentylaniline
CID 154378615
1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine
CID 18699513
butane;N-octyl-N-phenylaniline
CID 175431375
N-hexyl-N-methyl-4-[[4-(2-phenylethyl)phenyl]diazenyl]aniline
CID 71322290
N-dodecyl-N-phenylhydroxylamine
CID 159931126
4-N-methyl-4-N-pentylbenzene-1,4-diamine
CID 28894857
N-methyl-N-(3-phenylpropyl)decan-1-amine;hydrochloride
CID 174059369
carbanide;N,N'-dimethyl-N,N'-diphenylethane-1,2-diamine;palladium
CID 22967947

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-N-methylaniline;hydrochloride?
The IUPAC name of N-dodecyl-N-methylaniline;hydrochloride (CID 23333551) is N-dodecyl-N-methylaniline;hydrochloride.
What is the SMILES notation for N-dodecyl-N-methylaniline;hydrochloride?
The canonical SMILES for N-dodecyl-N-methylaniline;hydrochloride is CCCCCCCCCCCCN(C)c1ccccc1.Cl.
What is the InChIKey of N-dodecyl-N-methylaniline;hydrochloride?
The InChIKey is WNRKGXVUNMNCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N.ClH/c1-3-4-5-6-7-8-9-10-11-15-18-20(2)19-16-13-12-14-17-19;/h12-14,16-17H,3-11,15,18H2,1-2H3;1H.
What are the key properties of N-dodecyl-N-methylaniline;hydrochloride?
N-dodecyl-N-methylaniline;hydrochloride has a molecular weight of 311.94 g/mol, XLogP of 6.47, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-N-methylaniline;hydrochloride is sourced from PubChem (CID 23333551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).