ethane;N-methylpiperazin-1-amine

C7H19N3 — CID 162525851

IUPACethane;N-methylpiperazin-1-amine
SMILESCC.CNN1CCNCC1
InChIInChI=1S/C5H13N3.C2H6/c1-6-8-4-2-7-3-5-8;1-2/h6-7H,2-5H2,1H3;1-2H3
InChIKeyKEZKISUINARFGK-UHFFFAOYSA-N
MW145.25 g/mol
LogP0.05
Rot. Bonds1

About ethane;N-methylpiperazin-1-amine

ethane;N-methylpiperazin-1-amine (PubChem CID 162525851) has the molecular formula C7H19N3 and a molecular weight of 145.25 g/mol. Its IUPAC name is ethane;N-methylpiperazin-1-amine.

Molecular Properties

Compound Nameethane;N-methylpiperazin-1-amine
PubChem CID162525851
Molecular FormulaC7H19N3
Molecular Weight145.25 g/mol
Exact Mass145.16
IUPAC Nameethane;N-methylpiperazin-1-amine
SMILESCC.CNN1CCNCC1
InChIInChI=1S/C5H13N3.C2H6/c1-6-8-4-2-7-3-5-8;1-2/h6-7H,2-5H2,1H3;1-2H3
InChIKeyKEZKISUINARFGK-UHFFFAOYSA-N
XLogP0.05
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methylpiperazin-1-amine?
The IUPAC name of ethane;N-methylpiperazin-1-amine (CID 162525851) is ethane;N-methylpiperazin-1-amine.
What is the SMILES notation for ethane;N-methylpiperazin-1-amine?
The canonical SMILES for ethane;N-methylpiperazin-1-amine is CC.CNN1CCNCC1.
What is the InChIKey of ethane;N-methylpiperazin-1-amine?
The InChIKey is KEZKISUINARFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3.C2H6/c1-6-8-4-2-7-3-5-8;1-2/h6-7H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;N-methylpiperazin-1-amine?
ethane;N-methylpiperazin-1-amine has a molecular weight of 145.25 g/mol, XLogP of 0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methylpiperazin-1-amine is sourced from PubChem (CID 162525851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).