[3-methyl-5-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methanamine

C14H23NO2 — CID 55078007

IUPAC[3-methyl-5-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methanamine
SMILESCc1cc(COC2CCCC(C)C2)oc1CN
InChIInChI=1S/C14H23NO2/c1-10-4-3-5-12(6-10)16-9-13-7-11(2)14(8-15)17-13/h7,10,12H,3-6,8-9,15H2,1-2H3
InChIKeyRZMCAUGWEWKKEF-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.14
Rot. Bonds4

About [3-methyl-5-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methanamine

[3-methyl-5-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methanamine (PubChem CID 55078007) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is [3-methyl-5-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-5-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methanamine
PubChem CID55078007
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name[3-methyl-5-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methanamine
SMILESCc1cc(COC2CCCC(C)C2)oc1CN
InChIInChI=1S/C14H23NO2/c1-10-4-3-5-12(6-10)16-9-13-7-11(2)14(8-15)17-13/h7,10,12H,3-6,8-9,15H2,1-2H3
InChIKeyRZMCAUGWEWKKEF-UHFFFAOYSA-N
XLogP3.14
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methanamine?
The IUPAC name of [3-methyl-5-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methanamine (CID 55078007) is [3-methyl-5-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methanamine.
What is the SMILES notation for [3-methyl-5-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methanamine?
The canonical SMILES for [3-methyl-5-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methanamine is Cc1cc(COC2CCCC(C)C2)oc1CN.
What is the InChIKey of [3-methyl-5-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methanamine?
The InChIKey is RZMCAUGWEWKKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10-4-3-5-12(6-10)16-9-13-7-11(2)14(8-15)17-13/h7,10,12H,3-6,8-9,15H2,1-2H3.
What are the key properties of [3-methyl-5-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methanamine?
[3-methyl-5-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methanamine has a molecular weight of 237.34 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methanamine is sourced from PubChem (CID 55078007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).