N-dodecyl-N-methylaniline;pyridine

C24H38N2 — CID 22157792

IUPACN-dodecyl-N-methylaniline;pyridine
SMILESCCCCCCCCCCCCN(C)c1ccccc1.c1ccncc1
InChIInChI=1S/C19H33N.C5H5N/c1-3-4-5-6-7-8-9-10-11-15-18-20(2)19-16-13-12-14-17-19;1-2-4-6-5-3-1/h12-14,16-17H,3-11,15,18H2,1-2H3;1-5H
InChIKeyFCTLPZJGVBFTBW-UHFFFAOYSA-N
MW354.58 g/mol
LogP7.13
Rot. Bonds12

About N-dodecyl-N-methylaniline;pyridine

N-dodecyl-N-methylaniline;pyridine (PubChem CID 22157792) has the molecular formula C24H38N2 and a molecular weight of 354.58 g/mol. Its IUPAC name is N-dodecyl-N-methylaniline;pyridine.

Molecular Properties

Compound NameN-dodecyl-N-methylaniline;pyridine
PubChem CID22157792
Molecular FormulaC24H38N2
Molecular Weight354.58 g/mol
Exact Mass354.30
IUPAC NameN-dodecyl-N-methylaniline;pyridine
SMILESCCCCCCCCCCCCN(C)c1ccccc1.c1ccncc1
InChIInChI=1S/C19H33N.C5H5N/c1-3-4-5-6-7-8-9-10-11-15-18-20(2)19-16-13-12-14-17-19;1-2-4-6-5-3-1/h12-14,16-17H,3-11,15,18H2,1-2H3;1-5H
InChIKeyFCTLPZJGVBFTBW-UHFFFAOYSA-N
XLogP7.13
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.58
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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;hydrochloride
CID 23333551
N-methyl-N-octyl-4-(2-pyridin-4-ylethenyl)aniline
CID 71341716
N'-hexoxy-N-methyl-N,N'-diphenylbutane-1,4-diamine
CID 59961378
N-dodecyl-N-phenylhydroxylamine
CID 159931126
N,N-di(nonyl)aniline
CID 22637953
N-heptyl-N-pentylaniline
CID 154378615
dodecylbenzene;pyridine
CID 174718010
1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine
CID 18699513
butane;N-octyl-N-phenylaniline
CID 175431375
N-(5-chloropentyl)-N-methylpyridin-4-amine
CID 107205359
N-hexyl-N-methyl-4-[[4-(2-phenylethyl)phenyl]diazenyl]aniline
CID 71322290

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-N-methylaniline;pyridine?
The IUPAC name of N-dodecyl-N-methylaniline;pyridine (CID 22157792) is N-dodecyl-N-methylaniline;pyridine.
What is the SMILES notation for N-dodecyl-N-methylaniline;pyridine?
The canonical SMILES for N-dodecyl-N-methylaniline;pyridine is CCCCCCCCCCCCN(C)c1ccccc1.c1ccncc1.
What is the InChIKey of N-dodecyl-N-methylaniline;pyridine?
The InChIKey is FCTLPZJGVBFTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N.C5H5N/c1-3-4-5-6-7-8-9-10-11-15-18-20(2)19-16-13-12-14-17-19;1-2-4-6-5-3-1/h12-14,16-17H,3-11,15,18H2,1-2H3;1-5H.
What are the key properties of N-dodecyl-N-methylaniline;pyridine?
N-dodecyl-N-methylaniline;pyridine has a molecular weight of 354.58 g/mol, XLogP of 7.13, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-N-methylaniline;pyridine is sourced from PubChem (CID 22157792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).