[5-(4-methylpiperazin-1-yl)furan-2-yl]methanamine

C10H17N3O — CID 82505435

IUPAC[5-(4-methylpiperazin-1-yl)furan-2-yl]methanamine
SMILESCN1CCN(c2ccc(CN)o2)CC1
InChIInChI=1S/C10H17N3O/c1-12-4-6-13(7-5-12)10-3-2-9(8-11)14-10/h2-3H,4-8,11H2,1H3
InChIKeyTYRDIDCZBFRQNI-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.49
Rot. Bonds2

About [5-(4-methylpiperazin-1-yl)furan-2-yl]methanamine

[5-(4-methylpiperazin-1-yl)furan-2-yl]methanamine (PubChem CID 82505435) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is [5-(4-methylpiperazin-1-yl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(4-methylpiperazin-1-yl)furan-2-yl]methanamine
PubChem CID82505435
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name[5-(4-methylpiperazin-1-yl)furan-2-yl]methanamine
SMILESCN1CCN(c2ccc(CN)o2)CC1
InChIInChI=1S/C10H17N3O/c1-12-4-6-13(7-5-12)10-3-2-9(8-11)14-10/h2-3H,4-8,11H2,1H3
InChIKeyTYRDIDCZBFRQNI-UHFFFAOYSA-N
XLogP0.49
TPSA45.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(4-methylpiperazin-1-yl)furan-2-yl]methanamine?
The IUPAC name of [5-(4-methylpiperazin-1-yl)furan-2-yl]methanamine (CID 82505435) is [5-(4-methylpiperazin-1-yl)furan-2-yl]methanamine.
What is the SMILES notation for [5-(4-methylpiperazin-1-yl)furan-2-yl]methanamine?
The canonical SMILES for [5-(4-methylpiperazin-1-yl)furan-2-yl]methanamine is CN1CCN(c2ccc(CN)o2)CC1.
What is the InChIKey of [5-(4-methylpiperazin-1-yl)furan-2-yl]methanamine?
The InChIKey is TYRDIDCZBFRQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-12-4-6-13(7-5-12)10-3-2-9(8-11)14-10/h2-3H,4-8,11H2,1H3.
What are the key properties of [5-(4-methylpiperazin-1-yl)furan-2-yl]methanamine?
[5-(4-methylpiperazin-1-yl)furan-2-yl]methanamine has a molecular weight of 195.27 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methylpiperazin-1-yl)furan-2-yl]methanamine is sourced from PubChem (CID 82505435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).