ethylaminourea;2-methylpiperazine

C8H21N5O — CID 23318715

IUPACethylaminourea;2-methylpiperazine
SMILESCC1CNCCN1.CCNNC(N)=O
InChIInChI=1S/C5H12N2.C3H9N3O/c1-5-4-6-2-3-7-5;1-2-5-6-3(4)7/h5-7H,2-4H2,1H3;5H,2H2,1H3,(H3,4,6,7)
InChIKeyIVBJFKOGZBFHJV-UHFFFAOYSA-N
MW203.29 g/mol
LogP-1.25
Rot. Bonds2

About ethylaminourea;2-methylpiperazine

ethylaminourea;2-methylpiperazine (PubChem CID 23318715) has the molecular formula C8H21N5O and a molecular weight of 203.29 g/mol. Its IUPAC name is ethylaminourea;2-methylpiperazine.

Molecular Properties

Compound Nameethylaminourea;2-methylpiperazine
PubChem CID23318715
Molecular FormulaC8H21N5O
Molecular Weight203.29 g/mol
Exact Mass203.17
IUPAC Nameethylaminourea;2-methylpiperazine
SMILESCC1CNCCN1.CCNNC(N)=O
InChIInChI=1S/C5H12N2.C3H9N3O/c1-5-4-6-2-3-7-5;1-2-5-6-3(4)7/h5-7H,2-4H2,1H3;5H,2H2,1H3,(H3,4,6,7)
InChIKeyIVBJFKOGZBFHJV-UHFFFAOYSA-N
XLogP-1.25
TPSA91.21 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 5-1.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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ethane;2-methylpiperazine;propane
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zinc;2-methylpiperazine;diacetate
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2-methylpiperazine;hydrate
CID 141084178
trans-(2S,8S)-2,8-dimethyl-1,4,7,10,13-pentazacyclopentadecane
CID 14942559
2,5-dimethyl-1,4,7-triazonane
CID 66663266
(2S,5R,8S,11S)-2,5,8,11-tetramethyl-1,4,7,10,13-pentazacyclopentadecane
CID 70323374
2-methylpiperazine;molecular hydrogen
CID 143777491
azane;2-methylpiperazine;dihydrochloride
CID 174255785
(2S,3S)-2,3-dihydroxybutanedioic acid;(2S)-2-methylpiperazine
CID 2769566
copper;hydrogen sulfate;(2S)-2-methylpiperazine;hexahydrate
CID 71529775
3-methyl-1,4,7,10-tetrazacyclotridecane
CID 134246892

Frequently Asked Questions

What is the IUPAC name of ethylaminourea;2-methylpiperazine?
The IUPAC name of ethylaminourea;2-methylpiperazine (CID 23318715) is ethylaminourea;2-methylpiperazine.
What is the SMILES notation for ethylaminourea;2-methylpiperazine?
The canonical SMILES for ethylaminourea;2-methylpiperazine is CC1CNCCN1.CCNNC(N)=O.
What is the InChIKey of ethylaminourea;2-methylpiperazine?
The InChIKey is IVBJFKOGZBFHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.C3H9N3O/c1-5-4-6-2-3-7-5;1-2-5-6-3(4)7/h5-7H,2-4H2,1H3;5H,2H2,1H3,(H3,4,6,7).
What are the key properties of ethylaminourea;2-methylpiperazine?
ethylaminourea;2-methylpiperazine has a molecular weight of 203.29 g/mol, XLogP of -1.25, 2 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethylaminourea;2-methylpiperazine is sourced from PubChem (CID 23318715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).