zinc 1-[2-[di(ethyl)amino]ethoxymethyl]cyclohexan-1-amine

C13H26N2OZn — CID 176577128

IUPACzinc 1-[2-[di(ethyl)amino]ethoxymethyl]cyclohexan-1-amine
SMILES[CH2-]CN(C[CH2-])CCOCC1(N)CCCCC1.[Zn+2]
InChIInChI=1S/C13H26N2O.Zn/c1-3-15(4-2)10-11-16-12-13(14)8-6-5-7-9-13;/h1-12,14H2;/q-2;+2
InChIKeySSHGLRRSODGXIZ-UHFFFAOYSA-N
MW291.75 g/mol
LogP1.63
Rot. Bonds7

About zinc 1-[2-[di(ethyl)amino]ethoxymethyl]cyclohexan-1-amine

zinc 1-[2-[di(ethyl)amino]ethoxymethyl]cyclohexan-1-amine (PubChem CID 176577128) has the molecular formula C13H26N2OZn and a molecular weight of 291.75 g/mol. Its IUPAC name is zinc 1-[2-[di(ethyl)amino]ethoxymethyl]cyclohexan-1-amine.

Molecular Properties

Compound Namezinc 1-[2-[di(ethyl)amino]ethoxymethyl]cyclohexan-1-amine
PubChem CID176577128
Molecular FormulaC13H26N2OZn
Molecular Weight291.75 g/mol
Exact Mass290.13
IUPAC Namezinc 1-[2-[di(ethyl)amino]ethoxymethyl]cyclohexan-1-amine
SMILES[CH2-]CN(C[CH2-])CCOCC1(N)CCCCC1.[Zn+2]
InChIInChI=1S/C13H26N2O.Zn/c1-3-15(4-2)10-11-16-12-13(14)8-6-5-7-9-13;/h1-12,14H2;/q-2;+2
InChIKeySSHGLRRSODGXIZ-UHFFFAOYSA-N
XLogP1.63
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.75
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze zinc 1-[2-[di(ethyl)amino]ethoxymethyl]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of zinc 1-[2-[di(ethyl)amino]ethoxymethyl]cyclohexan-1-amine?
The IUPAC name of zinc 1-[2-[di(ethyl)amino]ethoxymethyl]cyclohexan-1-amine (CID 176577128) is zinc 1-[2-[di(ethyl)amino]ethoxymethyl]cyclohexan-1-amine.
What is the SMILES notation for zinc 1-[2-[di(ethyl)amino]ethoxymethyl]cyclohexan-1-amine?
The canonical SMILES for zinc 1-[2-[di(ethyl)amino]ethoxymethyl]cyclohexan-1-amine is [CH2-]CN(C[CH2-])CCOCC1(N)CCCCC1.[Zn+2].
What is the InChIKey of zinc 1-[2-[di(ethyl)amino]ethoxymethyl]cyclohexan-1-amine?
The InChIKey is SSHGLRRSODGXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.Zn/c1-3-15(4-2)10-11-16-12-13(14)8-6-5-7-9-13;/h1-12,14H2;/q-2;+2.
What are the key properties of zinc 1-[2-[di(ethyl)amino]ethoxymethyl]cyclohexan-1-amine?
zinc 1-[2-[di(ethyl)amino]ethoxymethyl]cyclohexan-1-amine has a molecular weight of 291.75 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for zinc 1-[2-[di(ethyl)amino]ethoxymethyl]cyclohexan-1-amine is sourced from PubChem (CID 176577128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).