N-[2-[[5-(methylaminomethyl)furan-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine

C15H28N2O2 — CID 115505791

IUPACN-[2-[[5-(methylaminomethyl)furan-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCNCc1ccc(COCCN(C(C)C)C(C)C)o1
InChIInChI=1S/C15H28N2O2/c1-12(2)17(13(3)4)8-9-18-11-15-7-6-14(19-15)10-16-5/h6-7,12-13,16H,8-11H2,1-5H3
InChIKeyYRPINVNUBYIJRZ-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.63
Rot. Bonds9

About N-[2-[[5-(methylaminomethyl)furan-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine

N-[2-[[5-(methylaminomethyl)furan-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 115505791) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[2-[[5-(methylaminomethyl)furan-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[[5-(methylaminomethyl)furan-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine
PubChem CID115505791
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-[2-[[5-(methylaminomethyl)furan-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCNCc1ccc(COCCN(C(C)C)C(C)C)o1
InChIInChI=1S/C15H28N2O2/c1-12(2)17(13(3)4)8-9-18-11-15-7-6-14(19-15)10-16-5/h6-7,12-13,16H,8-11H2,1-5H3
InChIKeyYRPINVNUBYIJRZ-UHFFFAOYSA-N
XLogP2.63
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.63
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-[[5-[2-[di(propan-2-yl)amino]ethoxymethyl]furan-2-yl]methyl]cyclopropanamine
CID 115505831
N-[2-[[5-(methylaminomethyl)thiophen-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 107559157
1-[5-(but-3-enoxymethyl)furan-2-yl]-N-methylmethanamine
CID 62443034
N-methyl-1-[5-(4,4,4-trifluorobutoxymethyl)furan-2-yl]methanamine
CID 82791750
N-methyl-1-[5-(2-phenoxyethoxymethyl)furan-2-yl]methanamine
CID 55078089
N-[[5-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62444595
N-methyl-1-[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methanamine
CID 66274886
N-methyl-1-[5-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]furan-2-yl]methanamine
CID 55077090
1-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62453412
N-[2-[[4-(aminomethyl)-5-methylfuran-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505825
2-[[5-(aminomethyl)furan-2-yl]methoxy]-N,N-dimethylethanamine
CID 62459822
1-[5-[(3,5-difluorophenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62783791

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(methylaminomethyl)furan-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2-[[5-(methylaminomethyl)furan-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine (CID 115505791) is N-[2-[[5-(methylaminomethyl)furan-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-[[5-(methylaminomethyl)furan-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2-[[5-(methylaminomethyl)furan-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine is CNCc1ccc(COCCN(C(C)C)C(C)C)o1.
What is the InChIKey of N-[2-[[5-(methylaminomethyl)furan-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is YRPINVNUBYIJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12(2)17(13(3)4)8-9-18-11-15-7-6-14(19-15)10-16-5/h6-7,12-13,16H,8-11H2,1-5H3.
What are the key properties of N-[2-[[5-(methylaminomethyl)furan-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine?
N-[2-[[5-(methylaminomethyl)furan-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 268.40 g/mol, XLogP of 2.63, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(methylaminomethyl)furan-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 115505791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).