2-methyl-N-[[4-[2-(3-methylbutoxy)ethyl]oxan-4-yl]methyl]propan-2-amine

C17H35NO2 — CID 62905566

IUPAC2-methyl-N-[[4-[2-(3-methylbutoxy)ethyl]oxan-4-yl]methyl]propan-2-amine
SMILESCC(C)CCOCCC1(CNC(C)(C)C)CCOCC1
InChIInChI=1S/C17H35NO2/c1-15(2)6-10-19-11-7-17(8-12-20-13-9-17)14-18-16(3,4)5/h15,18H,6-14H2,1-5H3
InChIKeyXBGLYYGCTZLGHM-UHFFFAOYSA-N
MW285.47 g/mol
LogP3.62
Rot. Bonds8

About 2-methyl-N-[[4-[2-(3-methylbutoxy)ethyl]oxan-4-yl]methyl]propan-2-amine

2-methyl-N-[[4-[2-(3-methylbutoxy)ethyl]oxan-4-yl]methyl]propan-2-amine (PubChem CID 62905566) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is 2-methyl-N-[[4-[2-(3-methylbutoxy)ethyl]oxan-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-[2-(3-methylbutoxy)ethyl]oxan-4-yl]methyl]propan-2-amine
PubChem CID62905566
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Name2-methyl-N-[[4-[2-(3-methylbutoxy)ethyl]oxan-4-yl]methyl]propan-2-amine
SMILESCC(C)CCOCCC1(CNC(C)(C)C)CCOCC1
InChIInChI=1S/C17H35NO2/c1-15(2)6-10-19-11-7-17(8-12-20-13-9-17)14-18-16(3,4)5/h15,18H,6-14H2,1-5H3
InChIKeyXBGLYYGCTZLGHM-UHFFFAOYSA-N
XLogP3.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 53.62
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

N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 104566610
N-methyl-1-[1-[2-(3-methylbutoxy)ethyl]cyclobutyl]methanamine
CID 65194527
2-methyl-N-[[3-(2-methylpropyl)oxolan-3-yl]methyl]propan-2-amine
CID 62719213
N-[[4-(2-ethoxyethyl)oxan-4-yl]methyl]-2-methylpropan-1-amine
CID 55136279
N-methyl-1-[4-(3-methylbutyl)oxan-4-yl]methanamine
CID 62905014
4-(bromomethyl)-4-(3-methylbutoxymethyl)oxane
CID 65004529
N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 62257485
2-methyl-N-[[3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 81074248
[1-[2-(3-methylbutoxy)ethyl]cyclopropyl]methanamine
CID 66024632
2-methyl-N-[[2-[2-(3-methylbutoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 63520960
2-methyl-N-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]propan-2-amine
CID 135302587
2-methyl-N-[[4-(oxan-4-ylmethyl)oxan-4-yl]methyl]propan-2-amine
CID 62905055

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-[2-(3-methylbutoxy)ethyl]oxan-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[4-[2-(3-methylbutoxy)ethyl]oxan-4-yl]methyl]propan-2-amine (CID 62905566) is 2-methyl-N-[[4-[2-(3-methylbutoxy)ethyl]oxan-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[4-[2-(3-methylbutoxy)ethyl]oxan-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[4-[2-(3-methylbutoxy)ethyl]oxan-4-yl]methyl]propan-2-amine is CC(C)CCOCCC1(CNC(C)(C)C)CCOCC1.
What is the InChIKey of 2-methyl-N-[[4-[2-(3-methylbutoxy)ethyl]oxan-4-yl]methyl]propan-2-amine?
The InChIKey is XBGLYYGCTZLGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-15(2)6-10-19-11-7-17(8-12-20-13-9-17)14-18-16(3,4)5/h15,18H,6-14H2,1-5H3.
What are the key properties of 2-methyl-N-[[4-[2-(3-methylbutoxy)ethyl]oxan-4-yl]methyl]propan-2-amine?
2-methyl-N-[[4-[2-(3-methylbutoxy)ethyl]oxan-4-yl]methyl]propan-2-amine has a molecular weight of 285.47 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-[2-(3-methylbutoxy)ethyl]oxan-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 62905566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).