2-[4-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]piperazin-1-yl]-N,N-dimethylethanamine

C15H28N4O — CID 62889409

IUPAC2-[4-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]piperazin-1-yl]-N,N-dimethylethanamine
SMILESCc1oc(CN)cc1CN1CCN(CCN(C)C)CC1
InChIInChI=1S/C15H28N4O/c1-13-14(10-15(11-16)20-13)12-19-8-6-18(7-9-19)5-4-17(2)3/h10H,4-9,11-12,16H2,1-3H3
InChIKeyYAOXBTJGFFHHGR-UHFFFAOYSA-N
MW280.42 g/mol
LogP0.73
Rot. Bonds6

About 2-[4-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]piperazin-1-yl]-N,N-dimethylethanamine

2-[4-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]piperazin-1-yl]-N,N-dimethylethanamine (PubChem CID 62889409) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-[4-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]piperazin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]piperazin-1-yl]-N,N-dimethylethanamine
PubChem CID62889409
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name2-[4-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]piperazin-1-yl]-N,N-dimethylethanamine
SMILESCc1oc(CN)cc1CN1CCN(CCN(C)C)CC1
InChIInChI=1S/C15H28N4O/c1-13-14(10-15(11-16)20-13)12-19-8-6-18(7-9-19)5-4-17(2)3/h10H,4-9,11-12,16H2,1-3H3
InChIKeyYAOXBTJGFFHHGR-UHFFFAOYSA-N
XLogP0.73
TPSA48.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]piperazin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]piperazin-1-yl]-N,N-dimethylethanamine (CID 62889409) is 2-[4-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]piperazin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]piperazin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]piperazin-1-yl]-N,N-dimethylethanamine is Cc1oc(CN)cc1CN1CCN(CCN(C)C)CC1.
What is the InChIKey of 2-[4-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]piperazin-1-yl]-N,N-dimethylethanamine?
The InChIKey is YAOXBTJGFFHHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-13-14(10-15(11-16)20-13)12-19-8-6-18(7-9-19)5-4-17(2)3/h10H,4-9,11-12,16H2,1-3H3.
What are the key properties of 2-[4-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]piperazin-1-yl]-N,N-dimethylethanamine?
2-[4-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]piperazin-1-yl]-N,N-dimethylethanamine has a molecular weight of 280.42 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]piperazin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 62889409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).