N,N-di(nonyl)aniline

C24H43N — CID 22637953

IUPACN,N-di(nonyl)aniline
SMILESCCCCCCCCCN(CCCCCCCCC)c1ccccc1
InChIInChI=1S/C24H43N/c1-3-5-7-9-11-13-18-22-25(24-20-16-15-17-21-24)23-19-14-12-10-8-6-4-2/h15-17,20-21H,3-14,18-19,22-23H2,1-2H3
InChIKeyMOYPTVAEJJIAOI-UHFFFAOYSA-N
MW345.61 g/mol
LogP7.99
Rot. Bonds17

About N,N-di(nonyl)aniline

N,N-di(nonyl)aniline (PubChem CID 22637953) has the molecular formula C24H43N and a molecular weight of 345.61 g/mol. Its IUPAC name is N,N-di(nonyl)aniline.

Molecular Properties

Compound NameN,N-di(nonyl)aniline
PubChem CID22637953
Molecular FormulaC24H43N
Molecular Weight345.61 g/mol
Exact Mass345.34
IUPAC NameN,N-di(nonyl)aniline
SMILESCCCCCCCCCN(CCCCCCCCC)c1ccccc1
InChIInChI=1S/C24H43N/c1-3-5-7-9-11-13-18-22-25(24-20-16-15-17-21-24)23-19-14-12-10-8-6-4-2/h15-17,20-21H,3-14,18-19,22-23H2,1-2H3
InChIKeyMOYPTVAEJJIAOI-UHFFFAOYSA-N
XLogP7.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.61
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-di(nonyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-heptyl-N-pentylaniline
CID 154378615
1-N,1-N,4-N,4-N-tetraoctylbenzene-1,4-diamine
CID 71367267
N-(fluoromethyl)-N-hexylaniline
CID 22637345
N'-butyl-N-methyl-N'-phenylpentane-1,5-diamine
CID 64584472
3-(N-hexylanilino)propanethioamide
CID 29006609
2-(N-decylanilino)ethyl acetate
CID 70658915
butane;N-octyl-N-phenylaniline
CID 175431375
N,N-diheptyl-4-methylaniline
CID 20558578
N-heptyl-N-methylaniline
CID 54015540
N,N-dibutylaniline;propane;prop-1-ene
CID 142114632
N,N-dibutylaniline;perchloric acid
CID 71443116
N,N-dipropylaniline;ethane
CID 142135231

Frequently Asked Questions

What is the IUPAC name of N,N-di(nonyl)aniline?
The IUPAC name of N,N-di(nonyl)aniline (CID 22637953) is N,N-di(nonyl)aniline.
What is the SMILES notation for N,N-di(nonyl)aniline?
The canonical SMILES for N,N-di(nonyl)aniline is CCCCCCCCCN(CCCCCCCCC)c1ccccc1.
What is the InChIKey of N,N-di(nonyl)aniline?
The InChIKey is MOYPTVAEJJIAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43N/c1-3-5-7-9-11-13-18-22-25(24-20-16-15-17-21-24)23-19-14-12-10-8-6-4-2/h15-17,20-21H,3-14,18-19,22-23H2,1-2H3.
What are the key properties of N,N-di(nonyl)aniline?
N,N-di(nonyl)aniline has a molecular weight of 345.61 g/mol, XLogP of 7.99, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(nonyl)aniline is sourced from PubChem (CID 22637953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).