4-methoxypentan-1-amine

C6H15NO — CID 21432849

IUPAC4-methoxypentan-1-amine
SMILESCOC(C)CCCN
InChIInChI=1S/C6H15NO/c1-6(8-2)4-3-5-7/h6H,3-5,7H2,1-2H3
InChIKeyNKXHKDQGLVQGAN-UHFFFAOYSA-N
MW117.19 g/mol
LogP0.76
Rot. Bonds4

About 4-methoxypentan-1-amine

4-methoxypentan-1-amine (PubChem CID 21432849) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is 4-methoxypentan-1-amine.

Molecular Properties

Compound Name4-methoxypentan-1-amine
PubChem CID21432849
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Name4-methoxypentan-1-amine
SMILESCOC(C)CCCN
InChIInChI=1S/C6H15NO/c1-6(8-2)4-3-5-7/h6H,3-5,7H2,1-2H3
InChIKeyNKXHKDQGLVQGAN-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 4-methoxypentan-1-amine?
The IUPAC name of 4-methoxypentan-1-amine (CID 21432849) is 4-methoxypentan-1-amine.
What is the SMILES notation for 4-methoxypentan-1-amine?
The canonical SMILES for 4-methoxypentan-1-amine is COC(C)CCCN.
What is the InChIKey of 4-methoxypentan-1-amine?
The InChIKey is NKXHKDQGLVQGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO/c1-6(8-2)4-3-5-7/h6H,3-5,7H2,1-2H3.
What are the key properties of 4-methoxypentan-1-amine?
4-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 4-methoxypentan-1-amine is sourced from PubChem (CID 21432849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).