3-cyclohexyl-1-(4,5-dimethylfuran-2-yl)propan-1-amine

C15H25NO — CID 114248905

IUPAC3-cyclohexyl-1-(4,5-dimethylfuran-2-yl)propan-1-amine
SMILESCc1cc(C(N)CCC2CCCCC2)oc1C
InChIInChI=1S/C15H25NO/c1-11-10-15(17-12(11)2)14(16)9-8-13-6-4-3-5-7-13/h10,13-14H,3-9,16H2,1-2H3
InChIKeyBSQQTAMSPXRUDS-UHFFFAOYSA-N
MW235.37 g/mol
LogP4.26
Rot. Bonds4

About 3-cyclohexyl-1-(4,5-dimethylfuran-2-yl)propan-1-amine

3-cyclohexyl-1-(4,5-dimethylfuran-2-yl)propan-1-amine (PubChem CID 114248905) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-cyclohexyl-1-(4,5-dimethylfuran-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-cyclohexyl-1-(4,5-dimethylfuran-2-yl)propan-1-amine
PubChem CID114248905
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-cyclohexyl-1-(4,5-dimethylfuran-2-yl)propan-1-amine
SMILESCc1cc(C(N)CCC2CCCCC2)oc1C
InChIInChI=1S/C15H25NO/c1-11-10-15(17-12(11)2)14(16)9-8-13-6-4-3-5-7-13/h10,13-14H,3-9,16H2,1-2H3
InChIKeyBSQQTAMSPXRUDS-UHFFFAOYSA-N
XLogP4.26
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-cyclohexyl-1-(4,5-dimethylfuran-2-yl)propan-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 3-cyclohexyl-1-(4,5-dimethylfuran-2-yl)propan-1-amine?
The IUPAC name of 3-cyclohexyl-1-(4,5-dimethylfuran-2-yl)propan-1-amine (CID 114248905) is 3-cyclohexyl-1-(4,5-dimethylfuran-2-yl)propan-1-amine.
What is the SMILES notation for 3-cyclohexyl-1-(4,5-dimethylfuran-2-yl)propan-1-amine?
The canonical SMILES for 3-cyclohexyl-1-(4,5-dimethylfuran-2-yl)propan-1-amine is Cc1cc(C(N)CCC2CCCCC2)oc1C.
What is the InChIKey of 3-cyclohexyl-1-(4,5-dimethylfuran-2-yl)propan-1-amine?
The InChIKey is BSQQTAMSPXRUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11-10-15(17-12(11)2)14(16)9-8-13-6-4-3-5-7-13/h10,13-14H,3-9,16H2,1-2H3.
What are the key properties of 3-cyclohexyl-1-(4,5-dimethylfuran-2-yl)propan-1-amine?
3-cyclohexyl-1-(4,5-dimethylfuran-2-yl)propan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(4,5-dimethylfuran-2-yl)propan-1-amine is sourced from PubChem (CID 114248905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).