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

C13H26N2O2 — CID 62459470

IUPACN-[[5-[2-(dimethylamino)ethoxymethyl]oxolan-2-yl]methyl]cyclopropanamine
SMILESCN(C)CCOCC1CCC(CNC2CC2)O1
InChIInChI=1S/C13H26N2O2/c1-15(2)7-8-16-10-13-6-5-12(17-13)9-14-11-3-4-11/h11-14H,3-10H2,1-2H3
InChIKeyRGYVXHHHWPDGCL-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.86
Rot. Bonds8

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

N-[[5-[2-(dimethylamino)ethoxymethyl]oxolan-2-yl]methyl]cyclopropanamine (PubChem CID 62459470) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[[5-[2-(dimethylamino)ethoxymethyl]oxolan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[2-(dimethylamino)ethoxymethyl]oxolan-2-yl]methyl]cyclopropanamine
PubChem CID62459470
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[[5-[2-(dimethylamino)ethoxymethyl]oxolan-2-yl]methyl]cyclopropanamine
SMILESCN(C)CCOCC1CCC(CNC2CC2)O1
InChIInChI=1S/C13H26N2O2/c1-15(2)7-8-16-10-13-6-5-12(17-13)9-14-11-3-4-11/h11-14H,3-10H2,1-2H3
InChIKeyRGYVXHHHWPDGCL-UHFFFAOYSA-N
XLogP0.86
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(dimethylamino)ethoxymethyl]oxolan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[2-(dimethylamino)ethoxymethyl]oxolan-2-yl]methyl]cyclopropanamine (CID 62459470) is N-[[5-[2-(dimethylamino)ethoxymethyl]oxolan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[2-(dimethylamino)ethoxymethyl]oxolan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[2-(dimethylamino)ethoxymethyl]oxolan-2-yl]methyl]cyclopropanamine is CN(C)CCOCC1CCC(CNC2CC2)O1.
What is the InChIKey of N-[[5-[2-(dimethylamino)ethoxymethyl]oxolan-2-yl]methyl]cyclopropanamine?
The InChIKey is RGYVXHHHWPDGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-15(2)7-8-16-10-13-6-5-12(17-13)9-14-11-3-4-11/h11-14H,3-10H2,1-2H3.
What are the key properties of N-[[5-[2-(dimethylamino)ethoxymethyl]oxolan-2-yl]methyl]cyclopropanamine?
N-[[5-[2-(dimethylamino)ethoxymethyl]oxolan-2-yl]methyl]cyclopropanamine has a molecular weight of 242.36 g/mol, XLogP of 0.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(dimethylamino)ethoxymethyl]oxolan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62459470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).