N-[[5-(2-cyclobutylethoxymethyl)oxolan-2-yl]methyl]cyclopropanamine

C15H27NO2 — CID 106206023

IUPACN-[[5-(2-cyclobutylethoxymethyl)oxolan-2-yl]methyl]cyclopropanamine
SMILESC1CC(CCOCC2CCC(CNC3CC3)O2)C1
InChIInChI=1S/C15H27NO2/c1-2-12(3-1)8-9-17-11-15-7-6-14(18-15)10-16-13-4-5-13/h12-16H,1-11H2
InChIKeyPPEYLPKKKAMSKR-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.49
Rot. Bonds8

About N-[[5-(2-cyclobutylethoxymethyl)oxolan-2-yl]methyl]cyclopropanamine

N-[[5-(2-cyclobutylethoxymethyl)oxolan-2-yl]methyl]cyclopropanamine (PubChem CID 106206023) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[[5-(2-cyclobutylethoxymethyl)oxolan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2-cyclobutylethoxymethyl)oxolan-2-yl]methyl]cyclopropanamine
PubChem CID106206023
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameN-[[5-(2-cyclobutylethoxymethyl)oxolan-2-yl]methyl]cyclopropanamine
SMILESC1CC(CCOCC2CCC(CNC3CC3)O2)C1
InChIInChI=1S/C15H27NO2/c1-2-12(3-1)8-9-17-11-15-7-6-14(18-15)10-16-13-4-5-13/h12-16H,1-11H2
InChIKeyPPEYLPKKKAMSKR-UHFFFAOYSA-N
XLogP2.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.49
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-[[5-(heptoxymethyl)oxolan-2-yl]methyl]cyclopropanamine
CID 62457537
N-[[5-[2-(dimethylamino)ethoxymethyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62459470
N-[[5-(ethoxymethyl)oxolan-2-yl]methyl]cyclopropanamine
CID 62444292
N-[[5-(oxan-4-ylmethoxymethyl)oxolan-2-yl]methyl]cyclopropanamine
CID 62471799
N-[[5-[2-[cyclopropyl(methyl)amino]ethoxymethyl]oxolan-2-yl]methyl]cyclopropanamine
CID 102740842
N-[[5-(2-methylpropoxymethyl)oxolan-2-yl]methyl]cyclopropanamine
CID 62444938
N-[[5-[[2-(dimethylamino)-2-methylpropoxy]methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 79679779
N-[2-(2-cyclobutylethoxy)ethyl]cycloheptanamine
CID 114158070
N-(cyclobutylmethyl)cyclobutanamine
CID 57306046
N-[[5-[(3,5-difluorophenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62784526
N-[[5-(cyclopentylmethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine
CID 66324414
N-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 106589270

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-cyclobutylethoxymethyl)oxolan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2-cyclobutylethoxymethyl)oxolan-2-yl]methyl]cyclopropanamine (CID 106206023) is N-[[5-(2-cyclobutylethoxymethyl)oxolan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2-cyclobutylethoxymethyl)oxolan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2-cyclobutylethoxymethyl)oxolan-2-yl]methyl]cyclopropanamine is C1CC(CCOCC2CCC(CNC3CC3)O2)C1.
What is the InChIKey of N-[[5-(2-cyclobutylethoxymethyl)oxolan-2-yl]methyl]cyclopropanamine?
The InChIKey is PPEYLPKKKAMSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-2-12(3-1)8-9-17-11-15-7-6-14(18-15)10-16-13-4-5-13/h12-16H,1-11H2.
What are the key properties of N-[[5-(2-cyclobutylethoxymethyl)oxolan-2-yl]methyl]cyclopropanamine?
N-[[5-(2-cyclobutylethoxymethyl)oxolan-2-yl]methyl]cyclopropanamine has a molecular weight of 253.39 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-cyclobutylethoxymethyl)oxolan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106206023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).