2-(furan-2-yl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)ethanamine

C13H23N3O — CID 83978834

IUPAC2-(furan-2-yl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)ethanamine
SMILESCC1CNCCN1C(CN(C)C)c1ccco1
InChIInChI=1S/C13H23N3O/c1-11-9-14-6-7-16(11)12(10-15(2)3)13-5-4-8-17-13/h4-5,8,11-12,14H,6-7,9-10H2,1-3H3
InChIKeyMHTOJNHJDGORNK-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.18
Rot. Bonds4

About 2-(furan-2-yl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)ethanamine

2-(furan-2-yl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)ethanamine (PubChem CID 83978834) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(furan-2-yl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(furan-2-yl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)ethanamine
PubChem CID83978834
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-(furan-2-yl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)ethanamine
SMILESCC1CNCCN1C(CN(C)C)c1ccco1
InChIInChI=1S/C13H23N3O/c1-11-9-14-6-7-16(11)12(10-15(2)3)13-5-4-8-17-13/h4-5,8,11-12,14H,6-7,9-10H2,1-3H3
InChIKeyMHTOJNHJDGORNK-UHFFFAOYSA-N
XLogP1.18
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(furan-2-yl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)ethanamine (CID 83978834) is 2-(furan-2-yl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(furan-2-yl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(furan-2-yl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)ethanamine is CC1CNCCN1C(CN(C)C)c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)ethanamine?
The InChIKey is MHTOJNHJDGORNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-11-9-14-6-7-16(11)12(10-15(2)3)13-5-4-8-17-13/h4-5,8,11-12,14H,6-7,9-10H2,1-3H3.
What are the key properties of 2-(furan-2-yl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)ethanamine?
2-(furan-2-yl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)ethanamine has a molecular weight of 237.35 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 83978834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).