N-methyl-4-nonadecylaniline

C26H47N — CID 175903606

IUPACN-methyl-4-nonadecylaniline
SMILESCCCCCCCCCCCCCCCCCCCc1ccc(NC)cc1
InChIInChI=1S/C26H47N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-21-23-26(27-2)24-22-25/h21-24,27H,3-20H2,1-2H3
InChIKeyKVXKMORQFOQNOB-UHFFFAOYSA-N
MW373.67 g/mol
LogP8.92
Rot. Bonds19

About N-methyl-4-nonadecylaniline

N-methyl-4-nonadecylaniline (PubChem CID 175903606) has the molecular formula C26H47N and a molecular weight of 373.67 g/mol. Its IUPAC name is N-methyl-4-nonadecylaniline.

Molecular Properties

Compound NameN-methyl-4-nonadecylaniline
PubChem CID175903606
Molecular FormulaC26H47N
Molecular Weight373.67 g/mol
Exact Mass373.37
IUPAC NameN-methyl-4-nonadecylaniline
SMILESCCCCCCCCCCCCCCCCCCCc1ccc(NC)cc1
InChIInChI=1S/C26H47N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-21-23-26(27-2)24-22-25/h21-24,27H,3-20H2,1-2H3
InChIKeyKVXKMORQFOQNOB-UHFFFAOYSA-N
XLogP8.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.67
LogP ≤ 58.92
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

4-hexadecyl-N-methylaniline
CID 22361119
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 N-methyl-4-nonadecylaniline?
The IUPAC name of N-methyl-4-nonadecylaniline (CID 175903606) is N-methyl-4-nonadecylaniline.
What is the SMILES notation for N-methyl-4-nonadecylaniline?
The canonical SMILES for N-methyl-4-nonadecylaniline is CCCCCCCCCCCCCCCCCCCc1ccc(NC)cc1.
What is the InChIKey of N-methyl-4-nonadecylaniline?
The InChIKey is KVXKMORQFOQNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H47N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-21-23-26(27-2)24-22-25/h21-24,27H,3-20H2,1-2H3.
What are the key properties of N-methyl-4-nonadecylaniline?
N-methyl-4-nonadecylaniline has a molecular weight of 373.67 g/mol, XLogP of 8.92, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-nonadecylaniline is sourced from PubChem (CID 175903606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).