[5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methanamine

C14H25N3O — CID 55217384

IUPAC[5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methanamine
SMILESCCN1CCN(Cc2cc(C)c(CN)o2)CC1C
InChIInChI=1S/C14H25N3O/c1-4-17-6-5-16(9-12(17)3)10-13-7-11(2)14(8-15)18-13/h7,12H,4-6,8-10,15H2,1-3H3
InChIKeyHFSZOURURFSHPA-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.57
Rot. Bonds4

About [5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methanamine

[5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methanamine (PubChem CID 55217384) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is [5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methanamine
PubChem CID55217384
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name[5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methanamine
SMILESCCN1CCN(Cc2cc(C)c(CN)o2)CC1C
InChIInChI=1S/C14H25N3O/c1-4-17-6-5-16(9-12(17)3)10-13-7-11(2)14(8-15)18-13/h7,12H,4-6,8-10,15H2,1-3H3
InChIKeyHFSZOURURFSHPA-UHFFFAOYSA-N
XLogP1.57
TPSA45.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methanamine?
The IUPAC name of [5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methanamine (CID 55217384) is [5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methanamine.
What is the SMILES notation for [5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methanamine?
The canonical SMILES for [5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methanamine is CCN1CCN(Cc2cc(C)c(CN)o2)CC1C.
What is the InChIKey of [5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methanamine?
The InChIKey is HFSZOURURFSHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-17-6-5-16(9-12(17)3)10-13-7-11(2)14(8-15)18-13/h7,12H,4-6,8-10,15H2,1-3H3.
What are the key properties of [5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methanamine?
[5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methanamine has a molecular weight of 251.37 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methanamine is sourced from PubChem (CID 55217384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).