N-[[5-[[butan-2-yl(ethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine

C15H26N2O — CID 55074401

IUPACN-[[5-[[butan-2-yl(ethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCCC(C)N(CC)Cc1ccc(CNC2CC2)o1
InChIInChI=1S/C15H26N2O/c1-4-12(3)17(5-2)11-15-9-8-14(18-15)10-16-13-6-7-13/h8-9,12-13,16H,4-7,10-11H2,1-3H3
InChIKeyQOFOPROZQJHKOJ-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.15
Rot. Bonds8

About N-[[5-[[butan-2-yl(ethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine

N-[[5-[[butan-2-yl(ethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine (PubChem CID 55074401) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[[5-[[butan-2-yl(ethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[[butan-2-yl(ethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
PubChem CID55074401
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[[5-[[butan-2-yl(ethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCCC(C)N(CC)Cc1ccc(CNC2CC2)o1
InChIInChI=1S/C15H26N2O/c1-4-12(3)17(5-2)11-15-9-8-14(18-15)10-16-13-6-7-13/h8-9,12-13,16H,4-7,10-11H2,1-3H3
InChIKeyQOFOPROZQJHKOJ-UHFFFAOYSA-N
XLogP3.15
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[[butan-2-yl(ethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[[butan-2-yl(ethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine (CID 55074401) is N-[[5-[[butan-2-yl(ethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[[butan-2-yl(ethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[[butan-2-yl(ethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine is CCC(C)N(CC)Cc1ccc(CNC2CC2)o1.
What is the InChIKey of N-[[5-[[butan-2-yl(ethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine?
The InChIKey is QOFOPROZQJHKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-12(3)17(5-2)11-15-9-8-14(18-15)10-16-13-6-7-13/h8-9,12-13,16H,4-7,10-11H2,1-3H3.
What are the key properties of N-[[5-[[butan-2-yl(ethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine?
N-[[5-[[butan-2-yl(ethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine has a molecular weight of 250.39 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[butan-2-yl(ethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55074401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).