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

C17H30N2O2 — CID 115505831

IUPACN-[[5-[2-[di(propan-2-yl)amino]ethoxymethyl]furan-2-yl]methyl]cyclopropanamine
SMILESCC(C)N(CCOCc1ccc(CNC2CC2)o1)C(C)C
InChIInChI=1S/C17H30N2O2/c1-13(2)19(14(3)4)9-10-20-12-17-8-7-16(21-17)11-18-15-5-6-15/h7-8,13-15,18H,5-6,9-12H2,1-4H3
InChIKeyMGTKWOVUDPOUDR-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.17
Rot. Bonds10

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

N-[[5-[2-[di(propan-2-yl)amino]ethoxymethyl]furan-2-yl]methyl]cyclopropanamine (PubChem CID 115505831) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[[5-[2-[di(propan-2-yl)amino]ethoxymethyl]furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[2-[di(propan-2-yl)amino]ethoxymethyl]furan-2-yl]methyl]cyclopropanamine
PubChem CID115505831
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN-[[5-[2-[di(propan-2-yl)amino]ethoxymethyl]furan-2-yl]methyl]cyclopropanamine
SMILESCC(C)N(CCOCc1ccc(CNC2CC2)o1)C(C)C
InChIInChI=1S/C17H30N2O2/c1-13(2)19(14(3)4)9-10-20-12-17-8-7-16(21-17)11-18-15-5-6-15/h7-8,13-15,18H,5-6,9-12H2,1-4H3
InChIKeyMGTKWOVUDPOUDR-UHFFFAOYSA-N
XLogP3.17
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.17
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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Related Compounds

N-[2-[[5-(methylaminomethyl)furan-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505791
N-[[5-(butan-2-yloxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62454835
N-[[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 81067953
N-[[5-(3-methylbutan-2-ylsulfonylmethyl)furan-2-yl]methyl]cyclopropanamine
CID 107759132
N-[[5-[[butan-2-yl(ethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 55074401
[5-[(cyclopropylamino)methyl]furan-2-yl]methanol
CID 20559403
N-[[5-[[2-methylpropyl(pentan-3-yl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 79490285
N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62453576
N-[[5-[2-(dimethylamino)ethoxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 62460736
N-[[5-[(3-iodophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62484968
N-[[5-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62454708
N-[[5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-yl]methyl]cyclopropanamine
CID 19917036

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-[di(propan-2-yl)amino]ethoxymethyl]furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[2-[di(propan-2-yl)amino]ethoxymethyl]furan-2-yl]methyl]cyclopropanamine (CID 115505831) is N-[[5-[2-[di(propan-2-yl)amino]ethoxymethyl]furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[2-[di(propan-2-yl)amino]ethoxymethyl]furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[2-[di(propan-2-yl)amino]ethoxymethyl]furan-2-yl]methyl]cyclopropanamine is CC(C)N(CCOCc1ccc(CNC2CC2)o1)C(C)C.
What is the InChIKey of N-[[5-[2-[di(propan-2-yl)amino]ethoxymethyl]furan-2-yl]methyl]cyclopropanamine?
The InChIKey is MGTKWOVUDPOUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-13(2)19(14(3)4)9-10-20-12-17-8-7-16(21-17)11-18-15-5-6-15/h7-8,13-15,18H,5-6,9-12H2,1-4H3.
What are the key properties of N-[[5-[2-[di(propan-2-yl)amino]ethoxymethyl]furan-2-yl]methyl]cyclopropanamine?
N-[[5-[2-[di(propan-2-yl)amino]ethoxymethyl]furan-2-yl]methyl]cyclopropanamine has a molecular weight of 294.44 g/mol, XLogP of 3.17, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-[di(propan-2-yl)amino]ethoxymethyl]furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 115505831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).