N,N-bis[(5-methylfuran-2-yl)methyl]propan-1-amine

C15H21NO2 — CID 5217129

IUPACN,N-bis[(5-methylfuran-2-yl)methyl]propan-1-amine
SMILESCCCN(Cc1ccc(C)o1)Cc1ccc(C)o1
InChIInChI=1S/C15H21NO2/c1-4-9-16(10-14-7-5-12(2)17-14)11-15-8-6-13(3)18-15/h5-8H,4,9-11H2,1-3H3
InChIKeyQOQUJAVJUYJFCZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.90
Rot. Bonds6

About N,N-bis[(5-methylfuran-2-yl)methyl]propan-1-amine

N,N-bis[(5-methylfuran-2-yl)methyl]propan-1-amine (PubChem CID 5217129) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N,N-bis[(5-methylfuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN,N-bis[(5-methylfuran-2-yl)methyl]propan-1-amine
PubChem CID5217129
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN,N-bis[(5-methylfuran-2-yl)methyl]propan-1-amine
SMILESCCCN(Cc1ccc(C)o1)Cc1ccc(C)o1
InChIInChI=1S/C15H21NO2/c1-4-9-16(10-14-7-5-12(2)17-14)11-15-8-6-13(3)18-15/h5-8H,4,9-11H2,1-3H3
InChIKeyQOQUJAVJUYJFCZ-UHFFFAOYSA-N
XLogP3.90
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[(5-methylfuran-2-yl)methyl]propan-1-amine?
The IUPAC name of N,N-bis[(5-methylfuran-2-yl)methyl]propan-1-amine (CID 5217129) is N,N-bis[(5-methylfuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N,N-bis[(5-methylfuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for N,N-bis[(5-methylfuran-2-yl)methyl]propan-1-amine is CCCN(Cc1ccc(C)o1)Cc1ccc(C)o1.
What is the InChIKey of N,N-bis[(5-methylfuran-2-yl)methyl]propan-1-amine?
The InChIKey is QOQUJAVJUYJFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-9-16(10-14-7-5-12(2)17-14)11-15-8-6-13(3)18-15/h5-8H,4,9-11H2,1-3H3.
What are the key properties of N,N-bis[(5-methylfuran-2-yl)methyl]propan-1-amine?
N,N-bis[(5-methylfuran-2-yl)methyl]propan-1-amine has a molecular weight of 247.34 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(5-methylfuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 5217129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).