3-methoxyhexane-1,6-diamine

C7H18N2O — CID 14440438

IUPAC3-methoxyhexane-1,6-diamine
SMILESCOC(CCN)CCCN
InChIInChI=1S/C7H18N2O/c1-10-7(4-6-9)3-2-5-8/h7H,2-6,8-9H2,1H3
InChIKeyYEEIWUUBRYZFEH-UHFFFAOYSA-N
MW146.23 g/mol
LogP0.09
Rot. Bonds6

About 3-methoxyhexane-1,6-diamine

3-methoxyhexane-1,6-diamine (PubChem CID 14440438) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is 3-methoxyhexane-1,6-diamine.

Molecular Properties

Compound Name3-methoxyhexane-1,6-diamine
PubChem CID14440438
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Name3-methoxyhexane-1,6-diamine
SMILESCOC(CCN)CCCN
InChIInChI=1S/C7H18N2O/c1-10-7(4-6-9)3-2-5-8/h7H,2-6,8-9H2,1H3
InChIKeyYEEIWUUBRYZFEH-UHFFFAOYSA-N
XLogP0.09
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxyhexane-1,6-diamine?
The IUPAC name of 3-methoxyhexane-1,6-diamine (CID 14440438) is 3-methoxyhexane-1,6-diamine.
What is the SMILES notation for 3-methoxyhexane-1,6-diamine?
The canonical SMILES for 3-methoxyhexane-1,6-diamine is COC(CCN)CCCN.
What is the InChIKey of 3-methoxyhexane-1,6-diamine?
The InChIKey is YEEIWUUBRYZFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O/c1-10-7(4-6-9)3-2-5-8/h7H,2-6,8-9H2,1H3.
What are the key properties of 3-methoxyhexane-1,6-diamine?
3-methoxyhexane-1,6-diamine has a molecular weight of 146.23 g/mol, XLogP of 0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyhexane-1,6-diamine is sourced from PubChem (CID 14440438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).