1-(4-methoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine

C15H31NO2 — CID 116765110

IUPAC1-(4-methoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)C)C1(OC)CCOCC1
InChIInChI=1S/C15H31NO2/c1-5-10-16-14(7-6-13(2)3)15(17-4)8-11-18-12-9-15/h13-14,16H,5-12H2,1-4H3
InChIKeyOZUGNWARRDDGJO-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.99
Rot. Bonds8

About 1-(4-methoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine

1-(4-methoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine (PubChem CID 116765110) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-(4-methoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(4-methoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine
PubChem CID116765110
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name1-(4-methoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)C)C1(OC)CCOCC1
InChIInChI=1S/C15H31NO2/c1-5-10-16-14(7-6-13(2)3)15(17-4)8-11-18-12-9-15/h13-14,16H,5-12H2,1-4H3
InChIKeyOZUGNWARRDDGJO-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

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Related Compounds

1-(4-ethoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine
CID 116765966
N-ethyl-1-(4-methoxyoxan-4-yl)-5-methylhexan-1-amine
CID 116765070
4-methoxy-1-(4-methoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine
CID 103036116
1-(1-methoxycycloheptyl)-5-methyl-N-propylhexan-1-amine
CID 116770521
1-(4-methoxyoxan-4-yl)-2-methyl-N-propylpropan-1-amine
CID 116765183
4-methoxy-1-(4-methoxyoxan-4-yl)-2-methyl-N-propylbutan-1-amine
CID 116765269
N-ethyl-4-ethylsulfonyl-1-(4-methoxyoxan-4-yl)butan-1-amine
CID 116764968
N-[1-(4-methoxyoxan-4-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 116765216
N-[1-(1-methoxy-4-methylcyclohexyl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 116766778
N-[2-(3-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethyl]propan-1-amine
CID 116765198
N-[2-(3-bromophenyl)-1-(4-methoxyoxan-4-yl)ethyl]propan-1-amine
CID 116765144
N-[1-(4-methoxyoxan-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 116765137

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(4-methoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine (CID 116765110) is 1-(4-methoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(4-methoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(4-methoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine is CCCNC(CCC(C)C)C1(OC)CCOCC1.
What is the InChIKey of 1-(4-methoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine?
The InChIKey is OZUGNWARRDDGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-5-10-16-14(7-6-13(2)3)15(17-4)8-11-18-12-9-15/h13-14,16H,5-12H2,1-4H3.
What are the key properties of 1-(4-methoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine?
1-(4-methoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 116765110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).