1-[5-(methoxymethyl)furan-2-yl]-N,4,4-trimethylpentan-1-amine

C14H25NO2 — CID 114212769

IUPAC1-[5-(methoxymethyl)furan-2-yl]-N,4,4-trimethylpentan-1-amine
SMILESCNC(CCC(C)(C)C)c1ccc(COC)o1
InChIInChI=1S/C14H25NO2/c1-14(2,3)9-8-12(15-4)13-7-6-11(17-13)10-16-5/h6-7,12,15H,8-10H2,1-5H3
InChIKeySGSYGKOJPIPSKE-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.51
Rot. Bonds6

About 1-[5-(methoxymethyl)furan-2-yl]-N,4,4-trimethylpentan-1-amine

1-[5-(methoxymethyl)furan-2-yl]-N,4,4-trimethylpentan-1-amine (PubChem CID 114212769) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-[5-(methoxymethyl)furan-2-yl]-N,4,4-trimethylpentan-1-amine.

Molecular Properties

Compound Name1-[5-(methoxymethyl)furan-2-yl]-N,4,4-trimethylpentan-1-amine
PubChem CID114212769
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-[5-(methoxymethyl)furan-2-yl]-N,4,4-trimethylpentan-1-amine
SMILESCNC(CCC(C)(C)C)c1ccc(COC)o1
InChIInChI=1S/C14H25NO2/c1-14(2,3)9-8-12(15-4)13-7-6-11(17-13)10-16-5/h6-7,12,15H,8-10H2,1-5H3
InChIKeySGSYGKOJPIPSKE-UHFFFAOYSA-N
XLogP3.51
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(methoxymethyl)furan-2-yl]-N,4,4-trimethylpentan-1-amine?
The IUPAC name of 1-[5-(methoxymethyl)furan-2-yl]-N,4,4-trimethylpentan-1-amine (CID 114212769) is 1-[5-(methoxymethyl)furan-2-yl]-N,4,4-trimethylpentan-1-amine.
What is the SMILES notation for 1-[5-(methoxymethyl)furan-2-yl]-N,4,4-trimethylpentan-1-amine?
The canonical SMILES for 1-[5-(methoxymethyl)furan-2-yl]-N,4,4-trimethylpentan-1-amine is CNC(CCC(C)(C)C)c1ccc(COC)o1.
What is the InChIKey of 1-[5-(methoxymethyl)furan-2-yl]-N,4,4-trimethylpentan-1-amine?
The InChIKey is SGSYGKOJPIPSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-14(2,3)9-8-12(15-4)13-7-6-11(17-13)10-16-5/h6-7,12,15H,8-10H2,1-5H3.
What are the key properties of 1-[5-(methoxymethyl)furan-2-yl]-N,4,4-trimethylpentan-1-amine?
1-[5-(methoxymethyl)furan-2-yl]-N,4,4-trimethylpentan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(methoxymethyl)furan-2-yl]-N,4,4-trimethylpentan-1-amine is sourced from PubChem (CID 114212769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).