cyclohexane-1,4-diamine;phenyl acetate

C14H22N2O2 — CID 160761577

IUPACcyclohexane-1,4-diamine;phenyl acetate
SMILESCC(=O)Oc1ccccc1.NC1CCC(N)CC1
InChIInChI=1S/C8H8O2.C6H14N2/c1-7(9)10-8-5-3-2-4-6-8;7-5-1-2-6(8)4-3-5/h2-6H,1H3;5-6H,1-4,7-8H2
InChIKeyRYDGZUFVVDTDBN-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.83
Rot. Bonds1

About cyclohexane-1,4-diamine;phenyl acetate

cyclohexane-1,4-diamine;phenyl acetate (PubChem CID 160761577) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is cyclohexane-1,4-diamine;phenyl acetate.

Molecular Properties

Compound Namecyclohexane-1,4-diamine;phenyl acetate
PubChem CID160761577
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Namecyclohexane-1,4-diamine;phenyl acetate
SMILESCC(=O)Oc1ccccc1.NC1CCC(N)CC1
InChIInChI=1S/C8H8O2.C6H14N2/c1-7(9)10-8-5-3-2-4-6-8;7-5-1-2-6(8)4-3-5/h2-6H,1H3;5-6H,1-4,7-8H2
InChIKeyRYDGZUFVVDTDBN-UHFFFAOYSA-N
XLogP1.83
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexane-1,4-diamine;phenyl acetate?
The IUPAC name of cyclohexane-1,4-diamine;phenyl acetate (CID 160761577) is cyclohexane-1,4-diamine;phenyl acetate.
What is the SMILES notation for cyclohexane-1,4-diamine;phenyl acetate?
The canonical SMILES for cyclohexane-1,4-diamine;phenyl acetate is CC(=O)Oc1ccccc1.NC1CCC(N)CC1.
What is the InChIKey of cyclohexane-1,4-diamine;phenyl acetate?
The InChIKey is RYDGZUFVVDTDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.C6H14N2/c1-7(9)10-8-5-3-2-4-6-8;7-5-1-2-6(8)4-3-5/h2-6H,1H3;5-6H,1-4,7-8H2.
What are the key properties of cyclohexane-1,4-diamine;phenyl acetate?
cyclohexane-1,4-diamine;phenyl acetate has a molecular weight of 250.34 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane-1,4-diamine;phenyl acetate is sourced from PubChem (CID 160761577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).