2-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine

C10H23N3 — CID 9161367

IUPAC2-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine
SMILESCCN1CCN(C(C)(C)CN)CC1
InChIInChI=1S/C10H23N3/c1-4-12-5-7-13(8-6-12)10(2,3)9-11/h4-9,11H2,1-3H3
InChIKeyQMKLDYLDJQCZNQ-UHFFFAOYSA-N
MW185.31 g/mol
LogP0.36
Rot. Bonds3

About 2-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine

2-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine (PubChem CID 9161367) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine
PubChem CID9161367
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name2-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine
SMILESCCN1CCN(C(C)(C)CN)CC1
InChIInChI=1S/C10H23N3/c1-4-12-5-7-13(8-6-12)10(2,3)9-11/h4-9,11H2,1-3H3
InChIKeyQMKLDYLDJQCZNQ-UHFFFAOYSA-N
XLogP0.36
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine (CID 9161367) is 2-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine is CCN1CCN(C(C)(C)CN)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine?
The InChIKey is QMKLDYLDJQCZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-4-12-5-7-13(8-6-12)10(2,3)9-11/h4-9,11H2,1-3H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine?
2-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 9161367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).