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

C16H23NO2 — CID 4597757

IUPACN,N-bis[(5-methylfuran-2-yl)methyl]butan-1-amine
SMILESCCCCN(Cc1ccc(C)o1)Cc1ccc(C)o1
InChIInChI=1S/C16H23NO2/c1-4-5-10-17(11-15-8-6-13(2)18-15)12-16-9-7-14(3)19-16/h6-9H,4-5,10-12H2,1-3H3
InChIKeyGXUBMSNDKZTMMR-UHFFFAOYSA-N
MW261.37 g/mol
LogP4.29
Rot. Bonds7

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

N,N-bis[(5-methylfuran-2-yl)methyl]butan-1-amine (PubChem CID 4597757) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N,N-bis[(5-methylfuran-2-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN,N-bis[(5-methylfuran-2-yl)methyl]butan-1-amine
PubChem CID4597757
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN,N-bis[(5-methylfuran-2-yl)methyl]butan-1-amine
SMILESCCCCN(Cc1ccc(C)o1)Cc1ccc(C)o1
InChIInChI=1S/C16H23NO2/c1-4-5-10-17(11-15-8-6-13(2)18-15)12-16-9-7-14(3)19-16/h6-9H,4-5,10-12H2,1-3H3
InChIKeyGXUBMSNDKZTMMR-UHFFFAOYSA-N
XLogP4.29
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 54.29
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]butan-1-amine?
The IUPAC name of N,N-bis[(5-methylfuran-2-yl)methyl]butan-1-amine (CID 4597757) is N,N-bis[(5-methylfuran-2-yl)methyl]butan-1-amine.
What is the SMILES notation for N,N-bis[(5-methylfuran-2-yl)methyl]butan-1-amine?
The canonical SMILES for N,N-bis[(5-methylfuran-2-yl)methyl]butan-1-amine is CCCCN(Cc1ccc(C)o1)Cc1ccc(C)o1.
What is the InChIKey of N,N-bis[(5-methylfuran-2-yl)methyl]butan-1-amine?
The InChIKey is GXUBMSNDKZTMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-4-5-10-17(11-15-8-6-13(2)18-15)12-16-9-7-14(3)19-16/h6-9H,4-5,10-12H2,1-3H3.
What are the key properties of N,N-bis[(5-methylfuran-2-yl)methyl]butan-1-amine?
N,N-bis[(5-methylfuran-2-yl)methyl]butan-1-amine has a molecular weight of 261.37 g/mol, XLogP of 4.29, 7 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]butan-1-amine is sourced from PubChem (CID 4597757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).