1-N'-(4-methylphenyl)cyclohexane-1,1-diamine

C13H20N2 — CID 90750604

IUPAC1-N'-(4-methylphenyl)cyclohexane-1,1-diamine
SMILESCc1ccc(NC2(N)CCCCC2)cc1
InChIInChI=1S/C13H20N2/c1-11-5-7-12(8-6-11)15-13(14)9-3-2-4-10-13/h5-8,15H,2-4,9-10,14H2,1H3
InChIKeyASXXSHXTUDWQQJ-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.03
Rot. Bonds2

About 1-N'-(4-methylphenyl)cyclohexane-1,1-diamine

1-N'-(4-methylphenyl)cyclohexane-1,1-diamine (PubChem CID 90750604) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-N'-(4-methylphenyl)cyclohexane-1,1-diamine.

Molecular Properties

Compound Name1-N'-(4-methylphenyl)cyclohexane-1,1-diamine
PubChem CID90750604
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-N'-(4-methylphenyl)cyclohexane-1,1-diamine
SMILESCc1ccc(NC2(N)CCCCC2)cc1
InChIInChI=1S/C13H20N2/c1-11-5-7-12(8-6-11)15-13(14)9-3-2-4-10-13/h5-8,15H,2-4,9-10,14H2,1H3
InChIKeyASXXSHXTUDWQQJ-UHFFFAOYSA-N
XLogP3.03
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N'-(4-methylphenyl)cyclohexane-1,1-diamine?
The IUPAC name of 1-N'-(4-methylphenyl)cyclohexane-1,1-diamine (CID 90750604) is 1-N'-(4-methylphenyl)cyclohexane-1,1-diamine.
What is the SMILES notation for 1-N'-(4-methylphenyl)cyclohexane-1,1-diamine?
The canonical SMILES for 1-N'-(4-methylphenyl)cyclohexane-1,1-diamine is Cc1ccc(NC2(N)CCCCC2)cc1.
What is the InChIKey of 1-N'-(4-methylphenyl)cyclohexane-1,1-diamine?
The InChIKey is ASXXSHXTUDWQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-11-5-7-12(8-6-11)15-13(14)9-3-2-4-10-13/h5-8,15H,2-4,9-10,14H2,1H3.
What are the key properties of 1-N'-(4-methylphenyl)cyclohexane-1,1-diamine?
1-N'-(4-methylphenyl)cyclohexane-1,1-diamine has a molecular weight of 204.32 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(4-methylphenyl)cyclohexane-1,1-diamine is sourced from PubChem (CID 90750604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).