2-methoxypentan-1-amine

C6H15NO — CID 57217960

IUPAC2-methoxypentan-1-amine
SMILESCCCC(CN)OC
InChIInChI=1S/C6H15NO/c1-3-4-6(5-7)8-2/h6H,3-5,7H2,1-2H3
InChIKeyKNKWGVDPVJGCEH-UHFFFAOYSA-N
MW117.19 g/mol
LogP0.76
Rot. Bonds4

About 2-methoxypentan-1-amine

2-methoxypentan-1-amine (PubChem CID 57217960) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is 2-methoxypentan-1-amine.

Molecular Properties

Compound Name2-methoxypentan-1-amine
PubChem CID57217960
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Name2-methoxypentan-1-amine
SMILESCCCC(CN)OC
InChIInChI=1S/C6H15NO/c1-3-4-6(5-7)8-2/h6H,3-5,7H2,1-2H3
InChIKeyKNKWGVDPVJGCEH-UHFFFAOYSA-N
XLogP0.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxypentan-1-amine?
The IUPAC name of 2-methoxypentan-1-amine (CID 57217960) is 2-methoxypentan-1-amine.
What is the SMILES notation for 2-methoxypentan-1-amine?
The canonical SMILES for 2-methoxypentan-1-amine is CCCC(CN)OC.
What is the InChIKey of 2-methoxypentan-1-amine?
The InChIKey is KNKWGVDPVJGCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO/c1-3-4-6(5-7)8-2/h6H,3-5,7H2,1-2H3.
What are the key properties of 2-methoxypentan-1-amine?
2-methoxypentan-1-amine has a molecular weight of 117.19 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxypentan-1-amine is sourced from PubChem (CID 57217960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).