[4-[(3,5-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methanamine

C15H25NO2 — CID 64731019

IUPAC[4-[(3,5-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methanamine
SMILESCc1oc(CN)cc1COC1CC(C)CC(C)C1
InChIInChI=1S/C15H25NO2/c1-10-4-11(2)6-14(5-10)17-9-13-7-15(8-16)18-12(13)3/h7,10-11,14H,4-6,8-9,16H2,1-3H3
InChIKeyQRDUFIZQQHGQIT-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.39
Rot. Bonds4

About [4-[(3,5-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methanamine

[4-[(3,5-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methanamine (PubChem CID 64731019) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is [4-[(3,5-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(3,5-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methanamine
PubChem CID64731019
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name[4-[(3,5-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methanamine
SMILESCc1oc(CN)cc1COC1CC(C)CC(C)C1
InChIInChI=1S/C15H25NO2/c1-10-4-11(2)6-14(5-10)17-9-13-7-15(8-16)18-12(13)3/h7,10-11,14H,4-6,8-9,16H2,1-3H3
InChIKeyQRDUFIZQQHGQIT-UHFFFAOYSA-N
XLogP3.39
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methanamine?
The IUPAC name of [4-[(3,5-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methanamine (CID 64731019) is [4-[(3,5-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methanamine.
What is the SMILES notation for [4-[(3,5-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methanamine?
The canonical SMILES for [4-[(3,5-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methanamine is Cc1oc(CN)cc1COC1CC(C)CC(C)C1.
What is the InChIKey of [4-[(3,5-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methanamine?
The InChIKey is QRDUFIZQQHGQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-10-4-11(2)6-14(5-10)17-9-13-7-15(8-16)18-12(13)3/h7,10-11,14H,4-6,8-9,16H2,1-3H3.
What are the key properties of [4-[(3,5-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methanamine?
[4-[(3,5-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methanamine has a molecular weight of 251.37 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methanamine is sourced from PubChem (CID 64731019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).