4-N-methyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclohexane-1,4-diamine

C12H21N3O — CID 79121827

IUPAC4-N-methyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclohexane-1,4-diamine
SMILESCc1cc(CN(C)C2CCC(N)CC2)on1
InChIInChI=1S/C12H21N3O/c1-9-7-12(16-14-9)8-15(2)11-5-3-10(13)4-6-11/h7,10-11H,3-6,8,13H2,1-2H3
InChIKeyZIUOULWDANTASN-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.68
Rot. Bonds3

About 4-N-methyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclohexane-1,4-diamine

4-N-methyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclohexane-1,4-diamine (PubChem CID 79121827) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-N-methyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclohexane-1,4-diamine
PubChem CID79121827
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-N-methyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclohexane-1,4-diamine
SMILESCc1cc(CN(C)C2CCC(N)CC2)on1
InChIInChI=1S/C12H21N3O/c1-9-7-12(16-14-9)8-15(2)11-5-3-10(13)4-6-11/h7,10-11H,3-6,8,13H2,1-2H3
InChIKeyZIUOULWDANTASN-UHFFFAOYSA-N
XLogP1.68
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-methyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclohexane-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-methyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclohexane-1,4-diamine (CID 79121827) is 4-N-methyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclohexane-1,4-diamine is Cc1cc(CN(C)C2CCC(N)CC2)on1.
What is the InChIKey of 4-N-methyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclohexane-1,4-diamine?
The InChIKey is ZIUOULWDANTASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9-7-12(16-14-9)8-15(2)11-5-3-10(13)4-6-11/h7,10-11H,3-6,8,13H2,1-2H3.
What are the key properties of 4-N-methyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclohexane-1,4-diamine?
4-N-methyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclohexane-1,4-diamine has a molecular weight of 223.32 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 79121827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).