4-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)cyclohexan-1-amine

C16H29NO — CID 22003486

IUPAC4-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)cyclohexan-1-amine
SMILESCC(C)(C)C1=C(C2CCC(N)CC2)OCC1(C)C
InChIInChI=1S/C16H29NO/c1-15(2,3)14-13(18-10-16(14,4)5)11-6-8-12(17)9-7-11/h11-12H,6-10,17H2,1-5H3
InChIKeyOXVONRHZIFWKMD-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.86
Rot. Bonds1

About 4-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)cyclohexan-1-amine

4-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)cyclohexan-1-amine (PubChem CID 22003486) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 4-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)cyclohexan-1-amine
PubChem CID22003486
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name4-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)cyclohexan-1-amine
SMILESCC(C)(C)C1=C(C2CCC(N)CC2)OCC1(C)C
InChIInChI=1S/C16H29NO/c1-15(2,3)14-13(18-10-16(14,4)5)11-6-8-12(17)9-7-11/h11-12H,6-10,17H2,1-5H3
InChIKeyOXVONRHZIFWKMD-UHFFFAOYSA-N
XLogP3.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)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 4-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)cyclohexan-1-amine?
The IUPAC name of 4-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)cyclohexan-1-amine (CID 22003486) is 4-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)cyclohexan-1-amine?
The canonical SMILES for 4-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)cyclohexan-1-amine is CC(C)(C)C1=C(C2CCC(N)CC2)OCC1(C)C.
What is the InChIKey of 4-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)cyclohexan-1-amine?
The InChIKey is OXVONRHZIFWKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-15(2,3)14-13(18-10-16(14,4)5)11-6-8-12(17)9-7-11/h11-12H,6-10,17H2,1-5H3.
What are the key properties of 4-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)cyclohexan-1-amine?
4-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)cyclohexan-1-amine has a molecular weight of 251.41 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)cyclohexan-1-amine is sourced from PubChem (CID 22003486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).