4-hexadecyl-N-methylaniline

C23H41N — CID 22361119

IUPAC4-hexadecyl-N-methylaniline
SMILESCCCCCCCCCCCCCCCCc1ccc(NC)cc1
InChIInChI=1S/C23H41N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-18-20-23(24-2)21-19-22/h18-21,24H,3-17H2,1-2H3
InChIKeySUKHBACKMALGJI-UHFFFAOYSA-N
MW331.59 g/mol
LogP7.75
Rot. Bonds16

About 4-hexadecyl-N-methylaniline

4-hexadecyl-N-methylaniline (PubChem CID 22361119) has the molecular formula C23H41N and a molecular weight of 331.59 g/mol. Its IUPAC name is 4-hexadecyl-N-methylaniline.

Molecular Properties

Compound Name4-hexadecyl-N-methylaniline
PubChem CID22361119
Molecular FormulaC23H41N
Molecular Weight331.59 g/mol
Exact Mass331.32
IUPAC Name4-hexadecyl-N-methylaniline
SMILESCCCCCCCCCCCCCCCCc1ccc(NC)cc1
InChIInChI=1S/C23H41N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-18-20-23(24-2)21-19-22/h18-21,24H,3-17H2,1-2H3
InChIKeySUKHBACKMALGJI-UHFFFAOYSA-N
XLogP7.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.59
LogP ≤ 57.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-nonadecylaniline
CID 175903606
1-butyl-4-nonylbenzene
CID 59545302
N-ethyl-4-nonylaniline
CID 154108619
4-[(4-butylphenyl)diazenyl]-N-methylaniline
CID 129106039
but-1-ene;4-butyl-N-methylaniline
CID 142016759
4-hexyl-N-[4-[4-(4-hexylanilino)phenyl]phenyl]aniline
CID 102049508
4-[4-(methylamino)phenyl]butan-1-ol
CID 69404104
4-methyl-N-(4-octylphenyl)aniline
CID 20625735
4-methyl-N-(4-nonylphenyl)aniline
CID 71021938
1-N,1-N,4-N,4-N-tetrakis(4-octylphenyl)benzene-1,4-diamine
CID 59470455
N-methyl-4-[(4-propylphenyl)methyl]aniline
CID 116926083
1-ethyl-4-octacosylbenzene
CID 175218304

Frequently Asked Questions

What is the IUPAC name of 4-hexadecyl-N-methylaniline?
The IUPAC name of 4-hexadecyl-N-methylaniline (CID 22361119) is 4-hexadecyl-N-methylaniline.
What is the SMILES notation for 4-hexadecyl-N-methylaniline?
The canonical SMILES for 4-hexadecyl-N-methylaniline is CCCCCCCCCCCCCCCCc1ccc(NC)cc1.
What is the InChIKey of 4-hexadecyl-N-methylaniline?
The InChIKey is SUKHBACKMALGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-18-20-23(24-2)21-19-22/h18-21,24H,3-17H2,1-2H3.
What are the key properties of 4-hexadecyl-N-methylaniline?
4-hexadecyl-N-methylaniline has a molecular weight of 331.59 g/mol, XLogP of 7.75, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexadecyl-N-methylaniline is sourced from PubChem (CID 22361119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).