4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine

C16H28N2O — CID 79122154

IUPAC4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)C(C)c2cc(C)oc2C)CC1
InChIInChI=1S/C16H28N2O/c1-11-10-16(13(3)19-11)12(2)18(5)15-8-6-14(17-4)7-9-15/h10,12,14-15,17H,6-9H2,1-5H3
InChIKeyRKKPHRHSKMQEFN-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.42
Rot. Bonds4

About 4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine

4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine (PubChem CID 79122154) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
PubChem CID79122154
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)C(C)c2cc(C)oc2C)CC1
InChIInChI=1S/C16H28N2O/c1-11-10-16(13(3)19-11)12(2)18(5)15-8-6-14(17-4)7-9-15/h10,12,14-15,17H,6-9H2,1-5H3
InChIKeyRKKPHRHSKMQEFN-UHFFFAOYSA-N
XLogP3.42
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine 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 4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine (CID 79122154) is 4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine is CNC1CCC(N(C)C(C)c2cc(C)oc2C)CC1.
What is the InChIKey of 4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The InChIKey is RKKPHRHSKMQEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-11-10-16(13(3)19-11)12(2)18(5)15-8-6-14(17-4)7-9-15/h10,12,14-15,17H,6-9H2,1-5H3.
What are the key properties of 4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine?
4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine has a molecular weight of 264.41 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine is sourced from PubChem (CID 79122154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).