N-(2,2-dimethoxyethyl)piperazin-1-amine

C8H19N3O2 — CID 66848844

IUPACN-(2,2-dimethoxyethyl)piperazin-1-amine
SMILESCOC(CNN1CCNCC1)OC
InChIInChI=1S/C8H19N3O2/c1-12-8(13-2)7-10-11-5-3-9-4-6-11/h8-10H,3-7H2,1-2H3
InChIKeyFXNTVUZJCDZGTF-UHFFFAOYSA-N
MW189.26 g/mol
LogP-0.98
Rot. Bonds5

About N-(2,2-dimethoxyethyl)piperazin-1-amine

N-(2,2-dimethoxyethyl)piperazin-1-amine (PubChem CID 66848844) has the molecular formula C8H19N3O2 and a molecular weight of 189.26 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)piperazin-1-amine.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)piperazin-1-amine
PubChem CID66848844
Molecular FormulaC8H19N3O2
Molecular Weight189.26 g/mol
Exact Mass189.15
IUPAC NameN-(2,2-dimethoxyethyl)piperazin-1-amine
SMILESCOC(CNN1CCNCC1)OC
InChIInChI=1S/C8H19N3O2/c1-12-8(13-2)7-10-11-5-3-9-4-6-11/h8-10H,3-7H2,1-2H3
InChIKeyFXNTVUZJCDZGTF-UHFFFAOYSA-N
XLogP-0.98
TPSA45.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)piperazin-1-amine?
The IUPAC name of N-(2,2-dimethoxyethyl)piperazin-1-amine (CID 66848844) is N-(2,2-dimethoxyethyl)piperazin-1-amine.
What is the SMILES notation for N-(2,2-dimethoxyethyl)piperazin-1-amine?
The canonical SMILES for N-(2,2-dimethoxyethyl)piperazin-1-amine is COC(CNN1CCNCC1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)piperazin-1-amine?
The InChIKey is FXNTVUZJCDZGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2/c1-12-8(13-2)7-10-11-5-3-9-4-6-11/h8-10H,3-7H2,1-2H3.
What are the key properties of N-(2,2-dimethoxyethyl)piperazin-1-amine?
N-(2,2-dimethoxyethyl)piperazin-1-amine has a molecular weight of 189.26 g/mol, XLogP of -0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)piperazin-1-amine is sourced from PubChem (CID 66848844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).