2-[2-(furan-3-yl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine

C15H25NO — CID 64764252

IUPAC2-[2-(furan-3-yl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine
SMILESCNC1CC(C)CCC1C(C)(C)c1ccoc1
InChIInChI=1S/C15H25NO/c1-11-5-6-13(14(9-11)16-4)15(2,3)12-7-8-17-10-12/h7-8,10-11,13-14,16H,5-6,9H2,1-4H3
InChIKeyYMUFODDHQZIIFP-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.58
Rot. Bonds3

About 2-[2-(furan-3-yl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine

2-[2-(furan-3-yl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine (PubChem CID 64764252) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-[2-(furan-3-yl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[2-(furan-3-yl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine
PubChem CID64764252
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-[2-(furan-3-yl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine
SMILESCNC1CC(C)CCC1C(C)(C)c1ccoc1
InChIInChI=1S/C15H25NO/c1-11-5-6-13(14(9-11)16-4)15(2,3)12-7-8-17-10-12/h7-8,10-11,13-14,16H,5-6,9H2,1-4H3
InChIKeyYMUFODDHQZIIFP-UHFFFAOYSA-N
XLogP3.58
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-3-yl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine?
The IUPAC name of 2-[2-(furan-3-yl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine (CID 64764252) is 2-[2-(furan-3-yl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-[2-(furan-3-yl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-[2-(furan-3-yl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine is CNC1CC(C)CCC1C(C)(C)c1ccoc1.
What is the InChIKey of 2-[2-(furan-3-yl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine?
The InChIKey is YMUFODDHQZIIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11-5-6-13(14(9-11)16-4)15(2,3)12-7-8-17-10-12/h7-8,10-11,13-14,16H,5-6,9H2,1-4H3.
What are the key properties of 2-[2-(furan-3-yl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine?
2-[2-(furan-3-yl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-3-yl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64764252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).