1-methoxy-6-(oxan-4-yl)-N-propylhexan-2-amine

C15H31NO2 — CID 114192090

IUPAC1-methoxy-6-(oxan-4-yl)-N-propylhexan-2-amine
SMILESCCCNC(CCCCC1CCOCC1)COC
InChIInChI=1S/C15H31NO2/c1-3-10-16-15(13-17-2)7-5-4-6-14-8-11-18-12-9-14/h14-16H,3-13H2,1-2H3
InChIKeyOMLLZWZRIDTUKU-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.99
Rot. Bonds10

About 1-methoxy-6-(oxan-4-yl)-N-propylhexan-2-amine

1-methoxy-6-(oxan-4-yl)-N-propylhexan-2-amine (PubChem CID 114192090) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-methoxy-6-(oxan-4-yl)-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-methoxy-6-(oxan-4-yl)-N-propylhexan-2-amine
PubChem CID114192090
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name1-methoxy-6-(oxan-4-yl)-N-propylhexan-2-amine
SMILESCCCNC(CCCCC1CCOCC1)COC
InChIInChI=1S/C15H31NO2/c1-3-10-16-15(13-17-2)7-5-4-6-14-8-11-18-12-9-14/h14-16H,3-13H2,1-2H3
InChIKeyOMLLZWZRIDTUKU-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.99
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

1-methoxy-N-[4-(oxan-4-yl)butyl]butan-2-amine
CID 114191056
3-methoxy-1-N-methyl-1-N-(oxan-4-ylmethyl)-2-N-propylpropane-1,2-diamine
CID 107505775
N-(2-cyclobutylethyl)-1-methoxyhexan-2-amine
CID 115893443
N-methyl-1-(oxan-4-yl)nonan-5-amine
CID 114192171
4-(oxan-4-ylmethoxy)-3-(propylamino)butan-1-ol
CID 64900179
4-cyclohexyl-1-(oxan-4-yl)-N-propylbutan-2-amine
CID 115846851
1-methoxy-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 62320759
N-(2-butoxyethyl)-4-(oxan-4-yl)butan-1-amine
CID 114191011
1-cyclopropyl-5-methoxy-N-propylpentan-2-amine
CID 65091943
5,5,5-trifluoro-1-(oxan-4-yl)-N-propylpentan-2-amine
CID 79965180
1-methoxy-N-propyl-3-(4-propylpiperidin-1-yl)propan-2-amine
CID 107505652
1-methoxy-N-propyldodecan-4-amine
CID 65091880

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-6-(oxan-4-yl)-N-propylhexan-2-amine?
The IUPAC name of 1-methoxy-6-(oxan-4-yl)-N-propylhexan-2-amine (CID 114192090) is 1-methoxy-6-(oxan-4-yl)-N-propylhexan-2-amine.
What is the SMILES notation for 1-methoxy-6-(oxan-4-yl)-N-propylhexan-2-amine?
The canonical SMILES for 1-methoxy-6-(oxan-4-yl)-N-propylhexan-2-amine is CCCNC(CCCCC1CCOCC1)COC.
What is the InChIKey of 1-methoxy-6-(oxan-4-yl)-N-propylhexan-2-amine?
The InChIKey is OMLLZWZRIDTUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-3-10-16-15(13-17-2)7-5-4-6-14-8-11-18-12-9-14/h14-16H,3-13H2,1-2H3.
What are the key properties of 1-methoxy-6-(oxan-4-yl)-N-propylhexan-2-amine?
1-methoxy-6-(oxan-4-yl)-N-propylhexan-2-amine has a molecular weight of 257.42 g/mol, XLogP of 2.99, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-6-(oxan-4-yl)-N-propylhexan-2-amine is sourced from PubChem (CID 114192090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).