1-N,2-N-diphenyldodecane-1,2-diamine

C24H36N2 — CID 10784226

IUPAC1-N,2-N-diphenyldodecane-1,2-diamine
SMILESCCCCCCCCCCC(CNc1ccccc1)Nc1ccccc1
InChIInChI=1S/C24H36N2/c1-2-3-4-5-6-7-8-11-20-24(26-23-18-14-10-15-19-23)21-25-22-16-12-9-13-17-22/h9-10,12-19,24-26H,2-8,11,20-21H2,1H3
InChIKeyIERCJKJLUPQIRF-UHFFFAOYSA-N
MW352.57 g/mol
LogP7.11
Rot. Bonds14

About 1-N,2-N-diphenyldodecane-1,2-diamine

1-N,2-N-diphenyldodecane-1,2-diamine (PubChem CID 10784226) has the molecular formula C24H36N2 and a molecular weight of 352.57 g/mol. Its IUPAC name is 1-N,2-N-diphenyldodecane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-diphenyldodecane-1,2-diamine
PubChem CID10784226
Molecular FormulaC24H36N2
Molecular Weight352.57 g/mol
Exact Mass352.29
IUPAC Name1-N,2-N-diphenyldodecane-1,2-diamine
SMILESCCCCCCCCCCC(CNc1ccccc1)Nc1ccccc1
InChIInChI=1S/C24H36N2/c1-2-3-4-5-6-7-8-11-20-24(26-23-18-14-10-15-19-23)21-25-22-16-12-9-13-17-22/h9-10,12-19,24-26H,2-8,11,20-21H2,1H3
InChIKeyIERCJKJLUPQIRF-UHFFFAOYSA-N
XLogP7.11
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.57
LogP ≤ 57.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-Benzenediamine, N-(1,3-dimethylbutyl)-N'-phenyl-
CID 13101
N-isopropyl-N'-phenyl-p-phenylenediamine
CID 7573
N-Ethylaniline
CID 7670
1-Phenylpiperazine
CID 7096
N-Isopropylaniline
CID 13032
N,N'-Di-sec-butyl-p-phenylenediamine
CID 7589
N1-Cyclohexyl-N4-phenyl-1,4-benzenediamine
CID 92093
N-Butylaniline
CID 14310
N,N'-Diphenylethylenediamine
CID 67422
N,N'-Di-o-tolylethylenediamine
CID 66759
N-(2-(Dimethylamino)ethyl)aniline
CID 81206
1,2-Ethanediamine, N1-phenyl-
CID 74270

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-diphenyldodecane-1,2-diamine?
The IUPAC name of 1-N,2-N-diphenyldodecane-1,2-diamine (CID 10784226) is 1-N,2-N-diphenyldodecane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-diphenyldodecane-1,2-diamine?
The canonical SMILES for 1-N,2-N-diphenyldodecane-1,2-diamine is CCCCCCCCCCC(CNc1ccccc1)Nc1ccccc1.
What is the InChIKey of 1-N,2-N-diphenyldodecane-1,2-diamine?
The InChIKey is IERCJKJLUPQIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2/c1-2-3-4-5-6-7-8-11-20-24(26-23-18-14-10-15-19-23)21-25-22-16-12-9-13-17-22/h9-10,12-19,24-26H,2-8,11,20-21H2,1H3.
What are the key properties of 1-N,2-N-diphenyldodecane-1,2-diamine?
1-N,2-N-diphenyldodecane-1,2-diamine has a molecular weight of 352.57 g/mol, XLogP of 7.11, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-diphenyldodecane-1,2-diamine is sourced from PubChem (CID 10784226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).