2-methoxy-3,3-dimethyl-1-(oxan-4-yl)-N-propylbutan-1-amine

C15H31NO2 — CID 116725101

IUPAC2-methoxy-3,3-dimethyl-1-(oxan-4-yl)-N-propylbutan-1-amine
SMILESCCCNC(C1CCOCC1)C(OC)C(C)(C)C
InChIInChI=1S/C15H31NO2/c1-6-9-16-13(12-7-10-18-11-8-12)14(17-5)15(2,3)4/h12-14,16H,6-11H2,1-5H3
InChIKeyPJURMWLUXNGVLC-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.84
Rot. Bonds6

About 2-methoxy-3,3-dimethyl-1-(oxan-4-yl)-N-propylbutan-1-amine

2-methoxy-3,3-dimethyl-1-(oxan-4-yl)-N-propylbutan-1-amine (PubChem CID 116725101) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-methoxy-3,3-dimethyl-1-(oxan-4-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-methoxy-3,3-dimethyl-1-(oxan-4-yl)-N-propylbutan-1-amine
PubChem CID116725101
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name2-methoxy-3,3-dimethyl-1-(oxan-4-yl)-N-propylbutan-1-amine
SMILESCCCNC(C1CCOCC1)C(OC)C(C)(C)C
InChIInChI=1S/C15H31NO2/c1-6-9-16-13(12-7-10-18-11-8-12)14(17-5)15(2,3)4/h12-14,16H,6-11H2,1-5H3
InChIKeyPJURMWLUXNGVLC-UHFFFAOYSA-N
XLogP2.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(oxan-4-yl)-N-propylpropan-1-amine
CID 63935267
N-[2-cyclohexyl-2-methoxy-1-(oxan-4-yl)ethyl]propan-1-amine
CID 116771903
[2-methoxy-3,3-dimethyl-1-(oxolan-3-yl)butyl]hydrazine
CID 105273352
1-(3,4-dimethylcyclohexyl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine
CID 116724854
5,5,5-trifluoro-1-(oxan-4-yl)-N-propylpentan-2-amine
CID 79965180
1-cyclopentyl-2-methoxy-N-propylbutan-1-amine
CID 116716165
2,2-dimethyl-1-(oxolan-3-yl)-N-propylbutan-1-amine
CID 115856711
N-[(2,3-dimethoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 105147214
N-[oxan-4-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 65334774
1-(4-ethylcyclohexyl)-2-methoxy-3-methyl-N-propylbutan-1-amine
CID 116720650
N-[(4-butylcyclohexyl)-(oxan-4-yl)methyl]propan-1-amine
CID 115855953
N-[1-(4-ethylcyclohexyl)-2,2-dimethoxyethyl]propan-1-amine
CID 79493283

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,3-dimethyl-1-(oxan-4-yl)-N-propylbutan-1-amine?
The IUPAC name of 2-methoxy-3,3-dimethyl-1-(oxan-4-yl)-N-propylbutan-1-amine (CID 116725101) is 2-methoxy-3,3-dimethyl-1-(oxan-4-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 2-methoxy-3,3-dimethyl-1-(oxan-4-yl)-N-propylbutan-1-amine?
The canonical SMILES for 2-methoxy-3,3-dimethyl-1-(oxan-4-yl)-N-propylbutan-1-amine is CCCNC(C1CCOCC1)C(OC)C(C)(C)C.
What is the InChIKey of 2-methoxy-3,3-dimethyl-1-(oxan-4-yl)-N-propylbutan-1-amine?
The InChIKey is PJURMWLUXNGVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-6-9-16-13(12-7-10-18-11-8-12)14(17-5)15(2,3)4/h12-14,16H,6-11H2,1-5H3.
What are the key properties of 2-methoxy-3,3-dimethyl-1-(oxan-4-yl)-N-propylbutan-1-amine?
2-methoxy-3,3-dimethyl-1-(oxan-4-yl)-N-propylbutan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,3-dimethyl-1-(oxan-4-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 116725101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).