2-(furan-2-ylmethyl)cyclohexan-1-amine

C11H17NO — CID 4961889

IUPAC2-(furan-2-ylmethyl)cyclohexan-1-amine
SMILESNC1CCCCC1Cc1ccco1
InChIInChI=1S/C11H17NO/c12-11-6-2-1-4-9(11)8-10-5-3-7-13-10/h3,5,7,9,11H,1-2,4,6,8,12H2
InChIKeyZIBHXQIBGRPJQU-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.34
Rot. Bonds2

About 2-(furan-2-ylmethyl)cyclohexan-1-amine

2-(furan-2-ylmethyl)cyclohexan-1-amine (PubChem CID 4961889) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)cyclohexan-1-amine
PubChem CID4961889
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-(furan-2-ylmethyl)cyclohexan-1-amine
SMILESNC1CCCCC1Cc1ccco1
InChIInChI=1S/C11H17NO/c12-11-6-2-1-4-9(11)8-10-5-3-7-13-10/h3,5,7,9,11H,1-2,4,6,8,12H2
InChIKeyZIBHXQIBGRPJQU-UHFFFAOYSA-N
XLogP2.34
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 2-(furan-2-ylmethyl)cyclohexan-1-amine (CID 4961889) is 2-(furan-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-(furan-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 2-(furan-2-ylmethyl)cyclohexan-1-amine is NC1CCCCC1Cc1ccco1.
What is the InChIKey of 2-(furan-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is ZIBHXQIBGRPJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c12-11-6-2-1-4-9(11)8-10-5-3-7-13-10/h3,5,7,9,11H,1-2,4,6,8,12H2.
What are the key properties of 2-(furan-2-ylmethyl)cyclohexan-1-amine?
2-(furan-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 179.26 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 4961889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).