4-methoxy-1-(5-methyloxolan-2-yl)-N-propylbutan-1-amine

C13H27NO2 — CID 105054940

IUPAC4-methoxy-1-(5-methyloxolan-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCCOC)C1CCC(C)O1
InChIInChI=1S/C13H27NO2/c1-4-9-14-12(6-5-10-15-3)13-8-7-11(2)16-13/h11-14H,4-10H2,1-3H3
InChIKeyWCNINNBJENFERL-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.35
Rot. Bonds8

About 4-methoxy-1-(5-methyloxolan-2-yl)-N-propylbutan-1-amine

4-methoxy-1-(5-methyloxolan-2-yl)-N-propylbutan-1-amine (PubChem CID 105054940) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 4-methoxy-1-(5-methyloxolan-2-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-methoxy-1-(5-methyloxolan-2-yl)-N-propylbutan-1-amine
PubChem CID105054940
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name4-methoxy-1-(5-methyloxolan-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCCOC)C1CCC(C)O1
InChIInChI=1S/C13H27NO2/c1-4-9-14-12(6-5-10-15-3)13-8-7-11(2)16-13/h11-14H,4-10H2,1-3H3
InChIKeyWCNINNBJENFERL-UHFFFAOYSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.35
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

4-methyl-1-(5-methyloxolan-2-yl)-N-propylpentan-1-amine
CID 115834351
1-(5-methyloxolan-2-yl)-N-propylpropan-1-amine
CID 114979569
1-(5-methyloxolan-2-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 104993230
N-ethyl-1-(5-methyloxolan-2-yl)nonan-1-amine
CID 115835493
4-methoxy-1-(5-methyloxolan-2-yl)butan-1-amine
CID 105054843
N-[2-cyclohexyl-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
CID 115842084
N-methyl-1-(5-methyloxolan-2-yl)hexan-1-amine
CID 115837035
1-(2-ethylcyclohexyl)-4-methoxy-N-propylbutan-1-amine
CID 65092174
1-(5-methyloxolan-2-yl)heptylhydrazine
CID 105294090
N-[2-(4-iodophenyl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
CID 115864188
N-[1-(5-methyloxolan-2-yl)-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 115844239
1-cyclopropyl-5-methoxy-N-propylpentan-2-amine
CID 65091943

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(5-methyloxolan-2-yl)-N-propylbutan-1-amine?
The IUPAC name of 4-methoxy-1-(5-methyloxolan-2-yl)-N-propylbutan-1-amine (CID 105054940) is 4-methoxy-1-(5-methyloxolan-2-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 4-methoxy-1-(5-methyloxolan-2-yl)-N-propylbutan-1-amine?
The canonical SMILES for 4-methoxy-1-(5-methyloxolan-2-yl)-N-propylbutan-1-amine is CCCNC(CCCOC)C1CCC(C)O1.
What is the InChIKey of 4-methoxy-1-(5-methyloxolan-2-yl)-N-propylbutan-1-amine?
The InChIKey is WCNINNBJENFERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-4-9-14-12(6-5-10-15-3)13-8-7-11(2)16-13/h11-14H,4-10H2,1-3H3.
What are the key properties of 4-methoxy-1-(5-methyloxolan-2-yl)-N-propylbutan-1-amine?
4-methoxy-1-(5-methyloxolan-2-yl)-N-propylbutan-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(5-methyloxolan-2-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 105054940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).