N-(2-ethoxyethyl)-4-methylpiperazin-1-amine

C9H21N3O — CID 83022417

IUPACN-(2-ethoxyethyl)-4-methylpiperazin-1-amine
SMILESCCOCCNN1CCN(C)CC1
InChIInChI=1S/C9H21N3O/c1-3-13-9-4-10-12-7-5-11(2)6-8-12/h10H,3-9H2,1-2H3
InChIKeyOGVBVLJLKSVWOI-UHFFFAOYSA-N
MW187.29 g/mol
LogP-0.23
Rot. Bonds5

About N-(2-ethoxyethyl)-4-methylpiperazin-1-amine

N-(2-ethoxyethyl)-4-methylpiperazin-1-amine (PubChem CID 83022417) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-4-methylpiperazin-1-amine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-4-methylpiperazin-1-amine
PubChem CID83022417
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC NameN-(2-ethoxyethyl)-4-methylpiperazin-1-amine
SMILESCCOCCNN1CCN(C)CC1
InChIInChI=1S/C9H21N3O/c1-3-13-9-4-10-12-7-5-11(2)6-8-12/h10H,3-9H2,1-2H3
InChIKeyOGVBVLJLKSVWOI-UHFFFAOYSA-N
XLogP-0.23
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-4-methylpiperazin-1-amine?
The IUPAC name of N-(2-ethoxyethyl)-4-methylpiperazin-1-amine (CID 83022417) is N-(2-ethoxyethyl)-4-methylpiperazin-1-amine.
What is the SMILES notation for N-(2-ethoxyethyl)-4-methylpiperazin-1-amine?
The canonical SMILES for N-(2-ethoxyethyl)-4-methylpiperazin-1-amine is CCOCCNN1CCN(C)CC1.
What is the InChIKey of N-(2-ethoxyethyl)-4-methylpiperazin-1-amine?
The InChIKey is OGVBVLJLKSVWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-3-13-9-4-10-12-7-5-11(2)6-8-12/h10H,3-9H2,1-2H3.
What are the key properties of N-(2-ethoxyethyl)-4-methylpiperazin-1-amine?
N-(2-ethoxyethyl)-4-methylpiperazin-1-amine has a molecular weight of 187.29 g/mol, XLogP of -0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-4-methylpiperazin-1-amine is sourced from PubChem (CID 83022417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).