2-(furan-3-yl)-4-propan-2-ylcyclohexan-1-amine

C13H21NO — CID 81014189

IUPAC2-(furan-3-yl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(c2ccoc2)C1
InChIInChI=1S/C13H21NO/c1-9(2)10-3-4-13(14)12(7-10)11-5-6-15-8-11/h5-6,8-10,12-13H,3-4,7,14H2,1-2H3
InChIKeyJKELHLWXAOSQSY-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.15
Rot. Bonds2

About 2-(furan-3-yl)-4-propan-2-ylcyclohexan-1-amine

2-(furan-3-yl)-4-propan-2-ylcyclohexan-1-amine (PubChem CID 81014189) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(furan-3-yl)-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(furan-3-yl)-4-propan-2-ylcyclohexan-1-amine
PubChem CID81014189
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-(furan-3-yl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(c2ccoc2)C1
InChIInChI=1S/C13H21NO/c1-9(2)10-3-4-13(14)12(7-10)11-5-6-15-8-11/h5-6,8-10,12-13H,3-4,7,14H2,1-2H3
InChIKeyJKELHLWXAOSQSY-UHFFFAOYSA-N
XLogP3.15
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-(furan-3-yl)-4-propan-2-ylcyclohexan-1-amine (CID 81014189) is 2-(furan-3-yl)-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-(furan-3-yl)-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-(furan-3-yl)-4-propan-2-ylcyclohexan-1-amine is CC(C)C1CCC(N)C(c2ccoc2)C1.
What is the InChIKey of 2-(furan-3-yl)-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is JKELHLWXAOSQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-9(2)10-3-4-13(14)12(7-10)11-5-6-15-8-11/h5-6,8-10,12-13H,3-4,7,14H2,1-2H3.
What are the key properties of 2-(furan-3-yl)-4-propan-2-ylcyclohexan-1-amine?
2-(furan-3-yl)-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 81014189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).