N-ethyl-4-nonylaniline

C17H29N — CID 154108619

IUPACN-ethyl-4-nonylaniline
SMILESCCCCCCCCCc1ccc(NCC)cc1
InChIInChI=1S/C17H29N/c1-3-5-6-7-8-9-10-11-16-12-14-17(15-13-16)18-4-2/h12-15,18H,3-11H2,1-2H3
InChIKeySXJISEDPERCKTO-UHFFFAOYSA-N
MW247.43 g/mol
LogP5.41
Rot. Bonds10

About N-ethyl-4-nonylaniline

N-ethyl-4-nonylaniline (PubChem CID 154108619) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-ethyl-4-nonylaniline.

Molecular Properties

Compound NameN-ethyl-4-nonylaniline
PubChem CID154108619
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-ethyl-4-nonylaniline
SMILESCCCCCCCCCc1ccc(NCC)cc1
InChIInChI=1S/C17H29N/c1-3-5-6-7-8-9-10-11-16-12-14-17(15-13-16)18-4-2/h12-15,18H,3-11H2,1-2H3
InChIKeySXJISEDPERCKTO-UHFFFAOYSA-N
XLogP5.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.43
LogP ≤ 55.41
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
4-hexadecyl-N-methylaniline
CID 22361119
N-(2,2-dimethylpropyl)-4-pentylaniline
CID 63421535
1-butyl-4-nonylbenzene
CID 59545302
4-hexyl-N-[4-[4-(4-hexylanilino)phenyl]phenyl]aniline
CID 102049508
4-pentyl-N-(2-phenylethyl)aniline
CID 29284918
N-(3,3-dimethylbutyl)-4-pentylaniline
CID 63421581
1-chloro-3-(4-heptylanilino)propan-2-ol
CID 168640950
4-methyl-N-(4-octylphenyl)aniline
CID 20625735
4-methyl-N-(4-nonylphenyl)aniline
CID 71021938
1-ethyl-4-octacosylbenzene
CID 175218304
1-octyl-4-(4-octylphenyl)benzene
CID 22766415

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-nonylaniline?
The IUPAC name of N-ethyl-4-nonylaniline (CID 154108619) is N-ethyl-4-nonylaniline.
What is the SMILES notation for N-ethyl-4-nonylaniline?
The canonical SMILES for N-ethyl-4-nonylaniline is CCCCCCCCCc1ccc(NCC)cc1.
What is the InChIKey of N-ethyl-4-nonylaniline?
The InChIKey is SXJISEDPERCKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-3-5-6-7-8-9-10-11-16-12-14-17(15-13-16)18-4-2/h12-15,18H,3-11H2,1-2H3.
What are the key properties of N-ethyl-4-nonylaniline?
N-ethyl-4-nonylaniline has a molecular weight of 247.43 g/mol, XLogP of 5.41, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-nonylaniline is sourced from PubChem (CID 154108619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).