5-methoxy-N-(oxan-4-ylmethyl)pentan-1-amine

C12H25NO2 — CID 115685550

IUPAC5-methoxy-N-(oxan-4-ylmethyl)pentan-1-amine
SMILESCOCCCCCNCC1CCOCC1
InChIInChI=1S/C12H25NO2/c1-14-8-4-2-3-7-13-11-12-5-9-15-10-6-12/h12-13H,2-11H2,1H3
InChIKeyKPHVVWCRNZMVJR-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.82
Rot. Bonds8

About 5-methoxy-N-(oxan-4-ylmethyl)pentan-1-amine

5-methoxy-N-(oxan-4-ylmethyl)pentan-1-amine (PubChem CID 115685550) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 5-methoxy-N-(oxan-4-ylmethyl)pentan-1-amine.

Molecular Properties

Compound Name5-methoxy-N-(oxan-4-ylmethyl)pentan-1-amine
PubChem CID115685550
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name5-methoxy-N-(oxan-4-ylmethyl)pentan-1-amine
SMILESCOCCCCCNCC1CCOCC1
InChIInChI=1S/C12H25NO2/c1-14-8-4-2-3-7-13-11-12-5-9-15-10-6-12/h12-13H,2-11H2,1H3
InChIKeyKPHVVWCRNZMVJR-UHFFFAOYSA-N
XLogP1.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-(oxolan-3-ylmethyl)propan-1-amine
CID 43205123
5-(oxan-4-ylmethylamino)pentan-1-ol
CID 63711155
5-bromo-N-(oxan-4-ylmethyl)pentan-1-amine
CID 107320411
2-methoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 43190181
1-(3-methoxypropyl)-3-(oxan-4-ylmethyl)thiourea
CID 115599220
N-(cyclohexylmethyl)-3-methoxypropan-1-amine
CID 17207140
1-(5-methoxypentyl)-2-methyl-3-[3-(oxan-4-ylmethoxy)propyl]guanidine;hydroiodide
CID 111643701
2-methyl-4-(oxan-4-ylmethylamino)butan-2-ol
CID 79355568
2,2-dimethyl-5-(oxan-4-ylmethylamino)pentan-1-ol
CID 115685739
N-(cyclopropylmethyl)-2-methoxyethanamine
CID 19353678
5-methoxy-N-[(4-methyloxan-4-yl)methyl]pentan-1-amine
CID 104586141
1-ethyl-3-(5-methoxypentyl)-2-[3-(oxan-4-ylmethoxy)propyl]guanidine
CID 111642674

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(oxan-4-ylmethyl)pentan-1-amine?
The IUPAC name of 5-methoxy-N-(oxan-4-ylmethyl)pentan-1-amine (CID 115685550) is 5-methoxy-N-(oxan-4-ylmethyl)pentan-1-amine.
What is the SMILES notation for 5-methoxy-N-(oxan-4-ylmethyl)pentan-1-amine?
The canonical SMILES for 5-methoxy-N-(oxan-4-ylmethyl)pentan-1-amine is COCCCCCNCC1CCOCC1.
What is the InChIKey of 5-methoxy-N-(oxan-4-ylmethyl)pentan-1-amine?
The InChIKey is KPHVVWCRNZMVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-14-8-4-2-3-7-13-11-12-5-9-15-10-6-12/h12-13H,2-11H2,1H3.
What are the key properties of 5-methoxy-N-(oxan-4-ylmethyl)pentan-1-amine?
5-methoxy-N-(oxan-4-ylmethyl)pentan-1-amine has a molecular weight of 215.34 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(oxan-4-ylmethyl)pentan-1-amine is sourced from PubChem (CID 115685550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).