[4-(2-methylpentoxy)oxan-4-yl]methanamine

C12H25NO2 — CID 65051545

IUPAC[4-(2-methylpentoxy)oxan-4-yl]methanamine
SMILESCCCC(C)COC1(CN)CCOCC1
InChIInChI=1S/C12H25NO2/c1-3-4-11(2)9-15-12(10-13)5-7-14-8-6-12/h11H,3-10,13H2,1-2H3
InChIKeyXHZSGASZJDZNSK-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.95
Rot. Bonds6

About [4-(2-methylpentoxy)oxan-4-yl]methanamine

[4-(2-methylpentoxy)oxan-4-yl]methanamine (PubChem CID 65051545) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is [4-(2-methylpentoxy)oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(2-methylpentoxy)oxan-4-yl]methanamine
PubChem CID65051545
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name[4-(2-methylpentoxy)oxan-4-yl]methanamine
SMILESCCCC(C)COC1(CN)CCOCC1
InChIInChI=1S/C12H25NO2/c1-3-4-11(2)9-15-12(10-13)5-7-14-8-6-12/h11H,3-10,13H2,1-2H3
InChIKeyXHZSGASZJDZNSK-UHFFFAOYSA-N
XLogP1.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpentoxy)oxan-4-yl]methanamine?
The IUPAC name of [4-(2-methylpentoxy)oxan-4-yl]methanamine (CID 65051545) is [4-(2-methylpentoxy)oxan-4-yl]methanamine.
What is the SMILES notation for [4-(2-methylpentoxy)oxan-4-yl]methanamine?
The canonical SMILES for [4-(2-methylpentoxy)oxan-4-yl]methanamine is CCCC(C)COC1(CN)CCOCC1.
What is the InChIKey of [4-(2-methylpentoxy)oxan-4-yl]methanamine?
The InChIKey is XHZSGASZJDZNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-3-4-11(2)9-15-12(10-13)5-7-14-8-6-12/h11H,3-10,13H2,1-2H3.
What are the key properties of [4-(2-methylpentoxy)oxan-4-yl]methanamine?
[4-(2-methylpentoxy)oxan-4-yl]methanamine has a molecular weight of 215.34 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpentoxy)oxan-4-yl]methanamine is sourced from PubChem (CID 65051545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).