N-[[3-[[butyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine

C14H28N2O — CID 62261714

IUPACN-[[3-[[butyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESCCCCN(C)CC1(CNC2CC2)CCOC1
InChIInChI=1S/C14H28N2O/c1-3-4-8-16(2)11-14(7-9-17-12-14)10-15-13-5-6-13/h13,15H,3-12H2,1-2H3
InChIKeyUCGWXTKZOILWTE-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.88
Rot. Bonds8

About N-[[3-[[butyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine

N-[[3-[[butyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 62261714) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[[3-[[butyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[[butyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine
PubChem CID62261714
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[[3-[[butyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESCCCCN(C)CC1(CNC2CC2)CCOC1
InChIInChI=1S/C14H28N2O/c1-3-4-8-16(2)11-14(7-9-17-12-14)10-15-13-5-6-13/h13,15H,3-12H2,1-2H3
InChIKeyUCGWXTKZOILWTE-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[[butyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[[butyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine (CID 62261714) is N-[[3-[[butyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[[butyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[[butyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine is CCCCN(C)CC1(CNC2CC2)CCOC1.
What is the InChIKey of N-[[3-[[butyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is UCGWXTKZOILWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-4-8-16(2)11-14(7-9-17-12-14)10-15-13-5-6-13/h13,15H,3-12H2,1-2H3.
What are the key properties of N-[[3-[[butyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine?
N-[[3-[[butyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 240.39 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[butyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62261714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).