[1-(furan-2-ylmethyl)cyclohexyl]methanamine

C12H19NO — CID 62998872

IUPAC[1-(furan-2-ylmethyl)cyclohexyl]methanamine
SMILESNCC1(Cc2ccco2)CCCCC1
InChIInChI=1S/C12H19NO/c13-10-12(6-2-1-3-7-12)9-11-5-4-8-14-11/h4-5,8H,1-3,6-7,9-10,13H2
InChIKeyNTJDFEVOFGOSSS-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.73
Rot. Bonds3

About [1-(furan-2-ylmethyl)cyclohexyl]methanamine

[1-(furan-2-ylmethyl)cyclohexyl]methanamine (PubChem CID 62998872) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is [1-(furan-2-ylmethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(furan-2-ylmethyl)cyclohexyl]methanamine
PubChem CID62998872
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name[1-(furan-2-ylmethyl)cyclohexyl]methanamine
SMILESNCC1(Cc2ccco2)CCCCC1
InChIInChI=1S/C12H19NO/c13-10-12(6-2-1-3-7-12)9-11-5-4-8-14-11/h4-5,8H,1-3,6-7,9-10,13H2
InChIKeyNTJDFEVOFGOSSS-UHFFFAOYSA-N
XLogP2.73
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(furan-2-ylmethyl)cyclohexyl]methanamine?
The IUPAC name of [1-(furan-2-ylmethyl)cyclohexyl]methanamine (CID 62998872) is [1-(furan-2-ylmethyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(furan-2-ylmethyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(furan-2-ylmethyl)cyclohexyl]methanamine is NCC1(Cc2ccco2)CCCCC1.
What is the InChIKey of [1-(furan-2-ylmethyl)cyclohexyl]methanamine?
The InChIKey is NTJDFEVOFGOSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c13-10-12(6-2-1-3-7-12)9-11-5-4-8-14-11/h4-5,8H,1-3,6-7,9-10,13H2.
What are the key properties of [1-(furan-2-ylmethyl)cyclohexyl]methanamine?
[1-(furan-2-ylmethyl)cyclohexyl]methanamine has a molecular weight of 193.29 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(furan-2-ylmethyl)cyclohexyl]methanamine is sourced from PubChem (CID 62998872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).