1-N,2-N-di(nonyl)benzene-1,2-diamine

C24H44N2 — CID 141284626

IUPAC1-N,2-N-di(nonyl)benzene-1,2-diamine
SMILESCCCCCCCCCNc1ccccc1NCCCCCCCCC
InChIInChI=1S/C24H44N2/c1-3-5-7-9-11-13-17-21-25-23-19-15-16-20-24(23)26-22-18-14-12-10-8-6-4-2/h15-16,19-20,25-26H,3-14,17-18,21-22H2,1-2H3
InChIKeyFWKAFRQBFBDCFA-UHFFFAOYSA-N
MW360.63 g/mol
LogP8.01
Rot. Bonds18

About 1-N,2-N-di(nonyl)benzene-1,2-diamine

1-N,2-N-di(nonyl)benzene-1,2-diamine (PubChem CID 141284626) has the molecular formula C24H44N2 and a molecular weight of 360.63 g/mol. Its IUPAC name is 1-N,2-N-di(nonyl)benzene-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-di(nonyl)benzene-1,2-diamine
PubChem CID141284626
Molecular FormulaC24H44N2
Molecular Weight360.63 g/mol
Exact Mass360.35
IUPAC Name1-N,2-N-di(nonyl)benzene-1,2-diamine
SMILESCCCCCCCCCNc1ccccc1NCCCCCCCCC
InChIInChI=1S/C24H44N2/c1-3-5-7-9-11-13-17-21-25-23-19-15-16-20-24(23)26-22-18-14-12-10-8-6-4-2/h15-16,19-20,25-26H,3-14,17-18,21-22H2,1-2H3
InChIKeyFWKAFRQBFBDCFA-UHFFFAOYSA-N
XLogP8.01
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.63
LogP ≤ 58.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(hexadecylamino)phenol
CID 154256819
N-nonylnaphthalen-1-amine
CID 63488249
N-icosylnaphthalen-1-amine
CID 53260207
N-heptyl-2-methylsulfanylaniline
CID 43683418
[2-(hexadecylamino)phenyl]-trimethylazanium
CID 21226594
1-N-heptyl-2-N,2-N-dimethylbenzene-1,2-diamine
CID 21311748
N-pentyl-2-[2-(pentylamino)phenyl]sulfanylaniline
CID 67638434
2-(dodecylamino)benzonitrile
CID 63488308
2-ethoxy-N-nonylaniline
CID 43129179
N-pentyl-2-propan-2-ylaniline
CID 29268175
2-(tetradecylamino)benzoic acid
CID 15090293
N-nonadecylaniline
CID 54509054

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-di(nonyl)benzene-1,2-diamine?
The IUPAC name of 1-N,2-N-di(nonyl)benzene-1,2-diamine (CID 141284626) is 1-N,2-N-di(nonyl)benzene-1,2-diamine.
What is the SMILES notation for 1-N,2-N-di(nonyl)benzene-1,2-diamine?
The canonical SMILES for 1-N,2-N-di(nonyl)benzene-1,2-diamine is CCCCCCCCCNc1ccccc1NCCCCCCCCC.
What is the InChIKey of 1-N,2-N-di(nonyl)benzene-1,2-diamine?
The InChIKey is FWKAFRQBFBDCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N2/c1-3-5-7-9-11-13-17-21-25-23-19-15-16-20-24(23)26-22-18-14-12-10-8-6-4-2/h15-16,19-20,25-26H,3-14,17-18,21-22H2,1-2H3.
What are the key properties of 1-N,2-N-di(nonyl)benzene-1,2-diamine?
1-N,2-N-di(nonyl)benzene-1,2-diamine has a molecular weight of 360.63 g/mol, XLogP of 8.01, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-di(nonyl)benzene-1,2-diamine is sourced from PubChem (CID 141284626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).