2-(4-ethylpiperazin-1-yl)-4,4-dimethylpentan-1-amine

C13H29N3 — CID 62949855

IUPAC2-(4-ethylpiperazin-1-yl)-4,4-dimethylpentan-1-amine
SMILESCCN1CCN(C(CN)CC(C)(C)C)CC1
InChIInChI=1S/C13H29N3/c1-5-15-6-8-16(9-7-15)12(11-14)10-13(2,3)4/h12H,5-11,14H2,1-4H3
InChIKeyMUACJALSSJJTCU-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.39
Rot. Bonds4

About 2-(4-ethylpiperazin-1-yl)-4,4-dimethylpentan-1-amine

2-(4-ethylpiperazin-1-yl)-4,4-dimethylpentan-1-amine (PubChem CID 62949855) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-4,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-4,4-dimethylpentan-1-amine
PubChem CID62949855
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name2-(4-ethylpiperazin-1-yl)-4,4-dimethylpentan-1-amine
SMILESCCN1CCN(C(CN)CC(C)(C)C)CC1
InChIInChI=1S/C13H29N3/c1-5-15-6-8-16(9-7-15)12(11-14)10-13(2,3)4/h12H,5-11,14H2,1-4H3
InChIKeyMUACJALSSJJTCU-UHFFFAOYSA-N
XLogP1.39
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.39
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)-4,4-dimethylpentan-1-amine?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-4,4-dimethylpentan-1-amine (CID 62949855) is 2-(4-ethylpiperazin-1-yl)-4,4-dimethylpentan-1-amine.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-4,4-dimethylpentan-1-amine?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-4,4-dimethylpentan-1-amine is CCN1CCN(C(CN)CC(C)(C)C)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-4,4-dimethylpentan-1-amine?
The InChIKey is MUACJALSSJJTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-5-15-6-8-16(9-7-15)12(11-14)10-13(2,3)4/h12H,5-11,14H2,1-4H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-4,4-dimethylpentan-1-amine?
2-(4-ethylpiperazin-1-yl)-4,4-dimethylpentan-1-amine has a molecular weight of 227.40 g/mol, XLogP of 1.39, 4 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)-4,4-dimethylpentan-1-amine is sourced from PubChem (CID 62949855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).