N-nonadecylaniline

C25H45N — CID 54509054

IUPACN-nonadecylaniline
SMILESCCCCCCCCCCCCCCCCCCCNc1ccccc1
InChIInChI=1S/C25H45N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-26-25-22-19-18-20-23-25/h18-20,22-23,26H,2-17,21,24H2,1H3
InChIKeyYHURQBXJFLMXRU-UHFFFAOYSA-N
MW359.64 g/mol
LogP8.75
Rot. Bonds19

About N-nonadecylaniline

N-nonadecylaniline (PubChem CID 54509054) has the molecular formula C25H45N and a molecular weight of 359.64 g/mol. Its IUPAC name is N-nonadecylaniline.

Molecular Properties

Compound NameN-nonadecylaniline
PubChem CID54509054
Molecular FormulaC25H45N
Molecular Weight359.64 g/mol
Exact Mass359.36
IUPAC NameN-nonadecylaniline
SMILESCCCCCCCCCCCCCCCCCCCNc1ccccc1
InChIInChI=1S/C25H45N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-26-25-22-19-18-20-23-25/h18-20,22-23,26H,2-17,21,24H2,1H3
InChIKeyYHURQBXJFLMXRU-UHFFFAOYSA-N
XLogP8.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.64
LogP ≤ 58.75
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

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CID 174886464
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CID 54486065
N-octyl-N'-phenylethane-1,2-diamine
CID 115568749
1-anilinoheptacosan-13-ol
CID 151401190
N-octadecyl-4-phenyldiazenylaniline
CID 15787928
N-hexyl-4-phenoxyaniline
CID 28876890
N-heptyl-4-phenoxyaniline
CID 43129191
1-N,3-N-dipentylbenzene-1,3-diamine
CID 19708209
N-propylaniline
CID 12153
N-hexyl-4-(2-phenoxyethoxy)aniline
CID 54799916
4-fluoro-N-heptylaniline
CID 43129312
4-methyl-N-octylaniline
CID 11816856

Frequently Asked Questions

What is the IUPAC name of N-nonadecylaniline?
The IUPAC name of N-nonadecylaniline (CID 54509054) is N-nonadecylaniline.
What is the SMILES notation for N-nonadecylaniline?
The canonical SMILES for N-nonadecylaniline is CCCCCCCCCCCCCCCCCCCNc1ccccc1.
What is the InChIKey of N-nonadecylaniline?
The InChIKey is YHURQBXJFLMXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H45N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-26-25-22-19-18-20-23-25/h18-20,22-23,26H,2-17,21,24H2,1H3.
What are the key properties of N-nonadecylaniline?
N-nonadecylaniline has a molecular weight of 359.64 g/mol, XLogP of 8.75, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-nonadecylaniline is sourced from PubChem (CID 54509054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).