N-[[2-cyclopropyl-3-(2-methylpropyl)oxolan-3-yl]methyl]-2-methoxyethanamine

C15H29NO2 — CID 104510154

IUPACN-[[2-cyclopropyl-3-(2-methylpropyl)oxolan-3-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(CC(C)C)CCOC1C1CC1
InChIInChI=1S/C15H29NO2/c1-12(2)10-15(11-16-7-9-17-3)6-8-18-14(15)13-4-5-13/h12-14,16H,4-11H2,1-3H3
InChIKeyIFGAGGSJMCZLEL-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.45
Rot. Bonds8

About N-[[2-cyclopropyl-3-(2-methylpropyl)oxolan-3-yl]methyl]-2-methoxyethanamine

N-[[2-cyclopropyl-3-(2-methylpropyl)oxolan-3-yl]methyl]-2-methoxyethanamine (PubChem CID 104510154) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-[[2-cyclopropyl-3-(2-methylpropyl)oxolan-3-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-cyclopropyl-3-(2-methylpropyl)oxolan-3-yl]methyl]-2-methoxyethanamine
PubChem CID104510154
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-[[2-cyclopropyl-3-(2-methylpropyl)oxolan-3-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(CC(C)C)CCOC1C1CC1
InChIInChI=1S/C15H29NO2/c1-12(2)10-15(11-16-7-9-17-3)6-8-18-14(15)13-4-5-13/h12-14,16H,4-11H2,1-3H3
InChIKeyIFGAGGSJMCZLEL-UHFFFAOYSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.45
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-(cyclopentylmethyl)-2-cyclopropyloxolan-3-yl]methyl]-2-methoxyethanamine
CID 104510178
2-methoxy-N-[[3-(2-methoxypropyl)-2-methyloxolan-3-yl]methyl]ethanamine
CID 114535299
N-[[2-cyclopropyl-3-(trimethylsilylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 106323947
N-[[2-cyclopropyl-3-(cyclopropylmethoxymethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 106930991
N-[(3-butyl-2-methyloxolan-3-yl)methyl]-2-methoxyethanamine
CID 114535216
N-[[2-cyclopropyl-3-(3-methylsulfonylpropyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 104510106
3-(chloromethyl)-2-cyclopropyl-3-(2-methoxypropyl)oxolane
CID 104510590
1-[2-cyclopropyl-3-(3-methylbutyl)oxolan-3-yl]-N-methylmethanamine
CID 104509569
N-[(2-cyclopropyl-3-propyloxolan-3-yl)methyl]propan-2-amine
CID 104509924
N-[[2-cyclopropyl-3-[2-(2-methylpropoxy)ethyl]oxolan-3-yl]methyl]cyclopropanamine
CID 106457296
[2-cyclopropyl-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]oxolan-3-yl]methanol
CID 104568665
N-[[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 103412755

Frequently Asked Questions

What is the IUPAC name of N-[[2-cyclopropyl-3-(2-methylpropyl)oxolan-3-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-cyclopropyl-3-(2-methylpropyl)oxolan-3-yl]methyl]-2-methoxyethanamine (CID 104510154) is N-[[2-cyclopropyl-3-(2-methylpropyl)oxolan-3-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-cyclopropyl-3-(2-methylpropyl)oxolan-3-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-cyclopropyl-3-(2-methylpropyl)oxolan-3-yl]methyl]-2-methoxyethanamine is COCCNCC1(CC(C)C)CCOC1C1CC1.
What is the InChIKey of N-[[2-cyclopropyl-3-(2-methylpropyl)oxolan-3-yl]methyl]-2-methoxyethanamine?
The InChIKey is IFGAGGSJMCZLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-12(2)10-15(11-16-7-9-17-3)6-8-18-14(15)13-4-5-13/h12-14,16H,4-11H2,1-3H3.
What are the key properties of N-[[2-cyclopropyl-3-(2-methylpropyl)oxolan-3-yl]methyl]-2-methoxyethanamine?
N-[[2-cyclopropyl-3-(2-methylpropyl)oxolan-3-yl]methyl]-2-methoxyethanamine has a molecular weight of 255.40 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-cyclopropyl-3-(2-methylpropyl)oxolan-3-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 104510154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).