N-[[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine

C15H26N2O2 — CID 81067953

IUPACN-[[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCC(C)OCCN(C)Cc1ccc(CNC2CC2)o1
InChIInChI=1S/C15H26N2O2/c1-12(2)18-9-8-17(3)11-15-7-6-14(19-15)10-16-13-4-5-13/h6-7,12-13,16H,4-5,8-11H2,1-3H3
InChIKeyHYDIFPVGAFYXAZ-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.39
Rot. Bonds9

About N-[[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine

N-[[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine (PubChem CID 81067953) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N-[[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
PubChem CID81067953
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN-[[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCC(C)OCCN(C)Cc1ccc(CNC2CC2)o1
InChIInChI=1S/C15H26N2O2/c1-12(2)18-9-8-17(3)11-15-7-6-14(19-15)10-16-13-4-5-13/h6-7,12-13,16H,4-5,8-11H2,1-3H3
InChIKeyHYDIFPVGAFYXAZ-UHFFFAOYSA-N
XLogP2.39
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine (CID 81067953) is N-[[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine is CC(C)OCCN(C)Cc1ccc(CNC2CC2)o1.
What is the InChIKey of N-[[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine?
The InChIKey is HYDIFPVGAFYXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-12(2)18-9-8-17(3)11-15-7-6-14(19-15)10-16-13-4-5-13/h6-7,12-13,16H,4-5,8-11H2,1-3H3.
What are the key properties of N-[[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine?
N-[[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine has a molecular weight of 266.38 g/mol, XLogP of 2.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 81067953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).