4-tert-butyl-2-(furan-3-yl)cyclohexan-1-amine

C14H23NO — CID 81014527

IUPAC4-tert-butyl-2-(furan-3-yl)cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(N)C(c2ccoc2)C1
InChIInChI=1S/C14H23NO/c1-14(2,3)11-4-5-13(15)12(8-11)10-6-7-16-9-10/h6-7,9,11-13H,4-5,8,15H2,1-3H3
InChIKeyQNWVAZQTZUVNLO-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.54
Rot. Bonds1

About 4-tert-butyl-2-(furan-3-yl)cyclohexan-1-amine

4-tert-butyl-2-(furan-3-yl)cyclohexan-1-amine (PubChem CID 81014527) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-tert-butyl-2-(furan-3-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-(furan-3-yl)cyclohexan-1-amine
PubChem CID81014527
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-tert-butyl-2-(furan-3-yl)cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(N)C(c2ccoc2)C1
InChIInChI=1S/C14H23NO/c1-14(2,3)11-4-5-13(15)12(8-11)10-6-7-16-9-10/h6-7,9,11-13H,4-5,8,15H2,1-3H3
InChIKeyQNWVAZQTZUVNLO-UHFFFAOYSA-N
XLogP3.54
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(furan-3-yl)cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-(furan-3-yl)cyclohexan-1-amine (CID 81014527) is 4-tert-butyl-2-(furan-3-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-(furan-3-yl)cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-(furan-3-yl)cyclohexan-1-amine is CC(C)(C)C1CCC(N)C(c2ccoc2)C1.
What is the InChIKey of 4-tert-butyl-2-(furan-3-yl)cyclohexan-1-amine?
The InChIKey is QNWVAZQTZUVNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-14(2,3)11-4-5-13(15)12(8-11)10-6-7-16-9-10/h6-7,9,11-13H,4-5,8,15H2,1-3H3.
What are the key properties of 4-tert-butyl-2-(furan-3-yl)cyclohexan-1-amine?
4-tert-butyl-2-(furan-3-yl)cyclohexan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(furan-3-yl)cyclohexan-1-amine is sourced from PubChem (CID 81014527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).