4-(2-aminoethyl)-5-methylpiperazin-2-amine

C7H18N4 — CID 118153264

IUPAC4-(2-aminoethyl)-5-methylpiperazin-2-amine
SMILESCC1CNC(N)CN1CCN
InChIInChI=1S/C7H18N4/c1-6-4-10-7(9)5-11(6)3-2-8/h6-7,10H,2-5,8-9H2,1H3
InChIKeyPFJBKHYDIBWOAG-UHFFFAOYSA-N
MW158.25 g/mol
LogP-1.48
Rot. Bonds2

About 4-(2-aminoethyl)-5-methylpiperazin-2-amine

4-(2-aminoethyl)-5-methylpiperazin-2-amine (PubChem CID 118153264) has the molecular formula C7H18N4 and a molecular weight of 158.25 g/mol. Its IUPAC name is 4-(2-aminoethyl)-5-methylpiperazin-2-amine.

Molecular Properties

Compound Name4-(2-aminoethyl)-5-methylpiperazin-2-amine
PubChem CID118153264
Molecular FormulaC7H18N4
Molecular Weight158.25 g/mol
Exact Mass158.15
IUPAC Name4-(2-aminoethyl)-5-methylpiperazin-2-amine
SMILESCC1CNC(N)CN1CCN
InChIInChI=1S/C7H18N4/c1-6-4-10-7(9)5-11(6)3-2-8/h6-7,10H,2-5,8-9H2,1H3
InChIKeyPFJBKHYDIBWOAG-UHFFFAOYSA-N
XLogP-1.48
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-5-methylpiperazin-2-amine?
The IUPAC name of 4-(2-aminoethyl)-5-methylpiperazin-2-amine (CID 118153264) is 4-(2-aminoethyl)-5-methylpiperazin-2-amine.
What is the SMILES notation for 4-(2-aminoethyl)-5-methylpiperazin-2-amine?
The canonical SMILES for 4-(2-aminoethyl)-5-methylpiperazin-2-amine is CC1CNC(N)CN1CCN.
What is the InChIKey of 4-(2-aminoethyl)-5-methylpiperazin-2-amine?
The InChIKey is PFJBKHYDIBWOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4/c1-6-4-10-7(9)5-11(6)3-2-8/h6-7,10H,2-5,8-9H2,1H3.
What are the key properties of 4-(2-aminoethyl)-5-methylpiperazin-2-amine?
4-(2-aminoethyl)-5-methylpiperazin-2-amine has a molecular weight of 158.25 g/mol, XLogP of -1.48, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-5-methylpiperazin-2-amine is sourced from PubChem (CID 118153264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).