4-N-(4-aminophenyl)-4-N-(cyclohexylmethyl)benzene-1,4-diamine

C19H25N3 — CID 139681620

IUPAC4-N-(4-aminophenyl)-4-N-(cyclohexylmethyl)benzene-1,4-diamine
SMILESNc1ccc(N(CC2CCCCC2)c2ccc(N)cc2)cc1
InChIInChI=1S/C19H25N3/c20-16-6-10-18(11-7-16)22(14-15-4-2-1-3-5-15)19-12-8-17(21)9-13-19/h6-13,15H,1-5,14,20-21H2
InChIKeyGPESQWSVFIJFRA-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.57
Rot. Bonds4

About 4-N-(4-aminophenyl)-4-N-(cyclohexylmethyl)benzene-1,4-diamine

4-N-(4-aminophenyl)-4-N-(cyclohexylmethyl)benzene-1,4-diamine (PubChem CID 139681620) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is 4-N-(4-aminophenyl)-4-N-(cyclohexylmethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-aminophenyl)-4-N-(cyclohexylmethyl)benzene-1,4-diamine
PubChem CID139681620
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name4-N-(4-aminophenyl)-4-N-(cyclohexylmethyl)benzene-1,4-diamine
SMILESNc1ccc(N(CC2CCCCC2)c2ccc(N)cc2)cc1
InChIInChI=1S/C19H25N3/c20-16-6-10-18(11-7-16)22(14-15-4-2-1-3-5-15)19-12-8-17(21)9-13-19/h6-13,15H,1-5,14,20-21H2
InChIKeyGPESQWSVFIJFRA-UHFFFAOYSA-N
XLogP4.57
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N-(cyclohexylmethyl)-1-N-phenylbenzene-1,2,4-triamine
CID 91395297
4-[N-(cyclopropylmethyl)-4-hydroxyanilino]phenol
CID 44580264
4-[1-[cyclohexylmethyl(methyl)amino]ethyl]aniline
CID 61443836
4-[[cyclohexylmethyl(ethyl)amino]methyl]aniline
CID 43383869
N-(4-aminophenyl)-2-[cyclopentylmethyl(methyl)amino]-N-methylacetamide
CID 63630843
4-[3-[cyclohexylmethyl(methyl)amino]propoxy]aniline
CID 61444128
3-N-(cyclohexylmethyl)-3-N,4-dimethylbenzene-1,3-diamine
CID 62589993
4-(aminomethyl)-N-(cyclohexylmethyl)-N-methylaniline
CID 43275525
4-(cyclohexylmethylsulfinyl)aniline
CID 61369022
4-[(cyclohexylmethylamino)methyl]aniline
CID 68506062
4-[1-(4-aminophenyl)-4-(cyclohexylmethyl)cyclohexyl]aniline
CID 22315929
4-N-(4-cyclohexylphenyl)-4-N-methylbenzene-1,4-diamine
CID 155134226

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-aminophenyl)-4-N-(cyclohexylmethyl)benzene-1,4-diamine?
The IUPAC name of 4-N-(4-aminophenyl)-4-N-(cyclohexylmethyl)benzene-1,4-diamine (CID 139681620) is 4-N-(4-aminophenyl)-4-N-(cyclohexylmethyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(4-aminophenyl)-4-N-(cyclohexylmethyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(4-aminophenyl)-4-N-(cyclohexylmethyl)benzene-1,4-diamine is Nc1ccc(N(CC2CCCCC2)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-N-(4-aminophenyl)-4-N-(cyclohexylmethyl)benzene-1,4-diamine?
The InChIKey is GPESQWSVFIJFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c20-16-6-10-18(11-7-16)22(14-15-4-2-1-3-5-15)19-12-8-17(21)9-13-19/h6-13,15H,1-5,14,20-21H2.
What are the key properties of 4-N-(4-aminophenyl)-4-N-(cyclohexylmethyl)benzene-1,4-diamine?
4-N-(4-aminophenyl)-4-N-(cyclohexylmethyl)benzene-1,4-diamine has a molecular weight of 295.43 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-aminophenyl)-4-N-(cyclohexylmethyl)benzene-1,4-diamine is sourced from PubChem (CID 139681620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).