1-[4-(2-aminoethyl)piperazin-1-yl]-2-methylpropan-2-amine

C10H24N4 — CID 45117280

IUPAC1-[4-(2-aminoethyl)piperazin-1-yl]-2-methylpropan-2-amine
SMILESCC(C)(N)CN1CCN(CCN)CC1
InChIInChI=1S/C10H24N4/c1-10(2,12)9-14-7-5-13(4-3-11)6-8-14/h3-9,11-12H2,1-2H3
InChIKeyMYZVROXPRLYIDL-UHFFFAOYSA-N
MW200.33 g/mol
LogP-0.70
Rot. Bonds4

About 1-[4-(2-aminoethyl)piperazin-1-yl]-2-methylpropan-2-amine

1-[4-(2-aminoethyl)piperazin-1-yl]-2-methylpropan-2-amine (PubChem CID 45117280) has the molecular formula C10H24N4 and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-[4-(2-aminoethyl)piperazin-1-yl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[4-(2-aminoethyl)piperazin-1-yl]-2-methylpropan-2-amine
PubChem CID45117280
Molecular FormulaC10H24N4
Molecular Weight200.33 g/mol
Exact Mass200.20
IUPAC Name1-[4-(2-aminoethyl)piperazin-1-yl]-2-methylpropan-2-amine
SMILESCC(C)(N)CN1CCN(CCN)CC1
InChIInChI=1S/C10H24N4/c1-10(2,12)9-14-7-5-13(4-3-11)6-8-14/h3-9,11-12H2,1-2H3
InChIKeyMYZVROXPRLYIDL-UHFFFAOYSA-N
XLogP-0.70
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethyl)piperazin-1-yl]-2-methylpropan-2-amine?
The IUPAC name of 1-[4-(2-aminoethyl)piperazin-1-yl]-2-methylpropan-2-amine (CID 45117280) is 1-[4-(2-aminoethyl)piperazin-1-yl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[4-(2-aminoethyl)piperazin-1-yl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[4-(2-aminoethyl)piperazin-1-yl]-2-methylpropan-2-amine is CC(C)(N)CN1CCN(CCN)CC1.
What is the InChIKey of 1-[4-(2-aminoethyl)piperazin-1-yl]-2-methylpropan-2-amine?
The InChIKey is MYZVROXPRLYIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4/c1-10(2,12)9-14-7-5-13(4-3-11)6-8-14/h3-9,11-12H2,1-2H3.
What are the key properties of 1-[4-(2-aminoethyl)piperazin-1-yl]-2-methylpropan-2-amine?
1-[4-(2-aminoethyl)piperazin-1-yl]-2-methylpropan-2-amine has a molecular weight of 200.33 g/mol, XLogP of -0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoethyl)piperazin-1-yl]-2-methylpropan-2-amine is sourced from PubChem (CID 45117280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).