cyclohexanamine;hexanediamide;methane

C13H29N3O2 — CID 175540568

IUPACcyclohexanamine;hexanediamide;methane
SMILESC.NC(=O)CCCCC(N)=O.NC1CCCCC1
InChIInChI=1S/C6H12N2O2.C6H13N.CH4/c7-5(9)3-1-2-4-6(8)10;7-6-4-2-1-3-5-6;/h1-4H2,(H2,7,9)(H2,8,10);6H,1-5,7H2;1H4
InChIKeyKIPQHVMJYBOSIF-UHFFFAOYSA-N
MW259.39 g/mol
LogP1.43
Rot. Bonds5

About cyclohexanamine;hexanediamide;methane

cyclohexanamine;hexanediamide;methane (PubChem CID 175540568) has the molecular formula C13H29N3O2 and a molecular weight of 259.39 g/mol. Its IUPAC name is cyclohexanamine;hexanediamide;methane.

Molecular Properties

Compound Namecyclohexanamine;hexanediamide;methane
PubChem CID175540568
Molecular FormulaC13H29N3O2
Molecular Weight259.39 g/mol
Exact Mass259.23
IUPAC Namecyclohexanamine;hexanediamide;methane
SMILESC.NC(=O)CCCCC(N)=O.NC1CCCCC1
InChIInChI=1S/C6H12N2O2.C6H13N.CH4/c7-5(9)3-1-2-4-6(8)10;7-6-4-2-1-3-5-6;/h1-4H2,(H2,7,9)(H2,8,10);6H,1-5,7H2;1H4
InChIKeyKIPQHVMJYBOSIF-UHFFFAOYSA-N
XLogP1.43
TPSA112.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze cyclohexanamine;hexanediamide;methane with MolForge

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

Launch Full Analysis

Related Compounds

cyclohexane;hexanediamide
CID 22340258
18-cyclohexyloctadecanamide
CID 70490920
5-(cycloheptylmethylamino)pentanamide
CID 106233402
hexanediamide;1-methylcyclohexane-1,3-diamine
CID 118657914
3-cyclohexylpropanamide;ethane;methanamine
CID 178116013
2-cyclodecylacetamide
CID 150110792
10-amino-10-oxodecanoic acid;cyclohexane
CID 67918729
4-(4-aminopiperidin-1-yl)butanamide
CID 118533814
3-cyclopentylpropanamide;molecular hydrogen
CID 142041552
dodecanediamide;nonanediamide
CID 175017820
hexanediamide;hydrazine
CID 160978463
docosanediamide;hexacosanediamide
CID 129179979

Frequently Asked Questions

What is the IUPAC name of cyclohexanamine;hexanediamide;methane?
The IUPAC name of cyclohexanamine;hexanediamide;methane (CID 175540568) is cyclohexanamine;hexanediamide;methane.
What is the SMILES notation for cyclohexanamine;hexanediamide;methane?
The canonical SMILES for cyclohexanamine;hexanediamide;methane is C.NC(=O)CCCCC(N)=O.NC1CCCCC1.
What is the InChIKey of cyclohexanamine;hexanediamide;methane?
The InChIKey is KIPQHVMJYBOSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2.C6H13N.CH4/c7-5(9)3-1-2-4-6(8)10;7-6-4-2-1-3-5-6;/h1-4H2,(H2,7,9)(H2,8,10);6H,1-5,7H2;1H4.
What are the key properties of cyclohexanamine;hexanediamide;methane?
cyclohexanamine;hexanediamide;methane has a molecular weight of 259.39 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanamine;hexanediamide;methane is sourced from PubChem (CID 175540568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).