3-methoxyhexan-1-amine

C7H17NO — CID 21433587

IUPAC3-methoxyhexan-1-amine
SMILESCCCC(CCN)OC
InChIInChI=1S/C7H17NO/c1-3-4-7(9-2)5-6-8/h7H,3-6,8H2,1-2H3
InChIKeyQRZBBFQCEMWCJR-UHFFFAOYSA-N
MW131.22 g/mol
LogP1.15
Rot. Bonds5

About 3-methoxyhexan-1-amine

3-methoxyhexan-1-amine (PubChem CID 21433587) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 3-methoxyhexan-1-amine.

Molecular Properties

Compound Name3-methoxyhexan-1-amine
PubChem CID21433587
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name3-methoxyhexan-1-amine
SMILESCCCC(CCN)OC
InChIInChI=1S/C7H17NO/c1-3-4-7(9-2)5-6-8/h7H,3-6,8H2,1-2H3
InChIKeyQRZBBFQCEMWCJR-UHFFFAOYSA-N
XLogP1.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxyhexan-1-amine?
The IUPAC name of 3-methoxyhexan-1-amine (CID 21433587) is 3-methoxyhexan-1-amine.
What is the SMILES notation for 3-methoxyhexan-1-amine?
The canonical SMILES for 3-methoxyhexan-1-amine is CCCC(CCN)OC.
What is the InChIKey of 3-methoxyhexan-1-amine?
The InChIKey is QRZBBFQCEMWCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-3-4-7(9-2)5-6-8/h7H,3-6,8H2,1-2H3.
What are the key properties of 3-methoxyhexan-1-amine?
3-methoxyhexan-1-amine has a molecular weight of 131.22 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyhexan-1-amine is sourced from PubChem (CID 21433587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).