N-[[4-(3,3-dimethylbutyl)oxan-4-yl]methyl]-2-methoxyethanamine

C15H31NO2 — CID 62904892

IUPACN-[[4-(3,3-dimethylbutyl)oxan-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(CCC(C)(C)C)CCOCC1
InChIInChI=1S/C15H31NO2/c1-14(2,3)5-6-15(7-10-18-11-8-15)13-16-9-12-17-4/h16H,5-13H2,1-4H3
InChIKeyKGYHZDNIJDMLTL-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.85
Rot. Bonds7

About N-[[4-(3,3-dimethylbutyl)oxan-4-yl]methyl]-2-methoxyethanamine

N-[[4-(3,3-dimethylbutyl)oxan-4-yl]methyl]-2-methoxyethanamine (PubChem CID 62904892) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is N-[[4-(3,3-dimethylbutyl)oxan-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[4-(3,3-dimethylbutyl)oxan-4-yl]methyl]-2-methoxyethanamine
PubChem CID62904892
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC NameN-[[4-(3,3-dimethylbutyl)oxan-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(CCC(C)(C)C)CCOCC1
InChIInChI=1S/C15H31NO2/c1-14(2,3)5-6-15(7-10-18-11-8-15)13-16-9-12-17-4/h16H,5-13H2,1-4H3
InChIKeyKGYHZDNIJDMLTL-UHFFFAOYSA-N
XLogP2.85
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.85
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

2-methoxy-N-[[4-(2-methylsulfonylethyl)oxan-4-yl]methyl]ethanamine
CID 62905763
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3,3-dimethylbutan-1-amine
CID 102672590
2-methoxy-N-[[3-(methoxymethyl)oxolan-3-yl]methyl]ethanamine
CID 103984642
2-methoxy-N-[[4-(thiophen-2-ylmethyl)oxan-4-yl]methyl]ethanamine
CID 62905761
2-methoxy-N-[[4-(3-phenylpropyl)oxan-4-yl]methyl]ethanamine
CID 62906628
N-[[4-(2-ethylhexyl)oxan-4-yl]methyl]-2-methoxyethanamine
CID 62906281
N-[[4-[(2,6-difluorophenyl)methyl]oxan-4-yl]methyl]-2-methoxyethanamine
CID 114933662
2-methoxy-N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]ethanamine
CID 62719768
2-methoxy-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]ethanamine
CID 62723578
2-methoxy-N-[[4-[(2-methyltetrazol-5-yl)methyl]oxan-4-yl]methyl]ethanamine
CID 107053257
N-[[4-[[bis(2-methoxyethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
CID 62390997
[1-[(2-methoxyethylamino)methyl]cyclopropyl]methanol
CID 115454729

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,3-dimethylbutyl)oxan-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[4-(3,3-dimethylbutyl)oxan-4-yl]methyl]-2-methoxyethanamine (CID 62904892) is N-[[4-(3,3-dimethylbutyl)oxan-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[4-(3,3-dimethylbutyl)oxan-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[4-(3,3-dimethylbutyl)oxan-4-yl]methyl]-2-methoxyethanamine is COCCNCC1(CCC(C)(C)C)CCOCC1.
What is the InChIKey of N-[[4-(3,3-dimethylbutyl)oxan-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is KGYHZDNIJDMLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-14(2,3)5-6-15(7-10-18-11-8-15)13-16-9-12-17-4/h16H,5-13H2,1-4H3.
What are the key properties of N-[[4-(3,3-dimethylbutyl)oxan-4-yl]methyl]-2-methoxyethanamine?
N-[[4-(3,3-dimethylbutyl)oxan-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 257.42 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,3-dimethylbutyl)oxan-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 62904892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).