ethane;N-methylformamide;1-methylpiperazine

C9H23N3O — CID 142853452

IUPACethane;N-methylformamide;1-methylpiperazine
SMILESCC.CN1CCNCC1.CNC=O
InChIInChI=1S/C5H12N2.C2H5NO.C2H6/c1-7-4-2-6-3-5-7;1-3-2-4;1-2/h6H,2-5H2,1H3;2H,1H3,(H,3,4);1-2H3
InChIKeyXMDSMQNDKKHBNC-UHFFFAOYSA-N
MW189.30 g/mol
LogP-0.09
Rot. Bonds1

About ethane;N-methylformamide;1-methylpiperazine

ethane;N-methylformamide;1-methylpiperazine (PubChem CID 142853452) has the molecular formula C9H23N3O and a molecular weight of 189.30 g/mol. Its IUPAC name is ethane;N-methylformamide;1-methylpiperazine.

Molecular Properties

Compound Nameethane;N-methylformamide;1-methylpiperazine
PubChem CID142853452
Molecular FormulaC9H23N3O
Molecular Weight189.30 g/mol
Exact Mass189.18
IUPAC Nameethane;N-methylformamide;1-methylpiperazine
SMILESCC.CN1CCNCC1.CNC=O
InChIInChI=1S/C5H12N2.C2H5NO.C2H6/c1-7-4-2-6-3-5-7;1-3-2-4;1-2/h6H,2-5H2,1H3;2H,1H3,(H,3,4);1-2H3
InChIKeyXMDSMQNDKKHBNC-UHFFFAOYSA-N
XLogP-0.09
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Piperazinecarboxaldehyde
CID 82191
N-(2-(4-methylpiperazin-1-yl)ethyl)formamide
CID 18695595
Formaldehyde;2-piperazin-1-ylethanamine
CID 69972635
N-ethyl-N-[2-(ethylamino)ethyl]formamide
CID 14436695
N-(2-piperazin-1-ylethyl)formamide
CID 17781548
N-[2-(4-Formylpiperazin-1-YL)ethyl]formamide
CID 20337132
Piperazin-4-ium-1-carbaldehyde
CID 3467521
Formamide;piperazine
CID 6713365
4-Methylpiperazin-4-ium-1-carbaldehyde
CID 6950713
4-(2-Aminoethyl)piperazine-1-carbaldehyde
CID 14876000
N-[3-(1-methylpiperazin-1-ium-1-yl)propyl]formamide
CID 17797147
N-[3-(4-Methylpiperazin-1-YL)propyl]formamide
CID 18183534

Frequently Asked Questions

What is the IUPAC name of ethane;N-methylformamide;1-methylpiperazine?
The IUPAC name of ethane;N-methylformamide;1-methylpiperazine (CID 142853452) is ethane;N-methylformamide;1-methylpiperazine.
What is the SMILES notation for ethane;N-methylformamide;1-methylpiperazine?
The canonical SMILES for ethane;N-methylformamide;1-methylpiperazine is CC.CN1CCNCC1.CNC=O.
What is the InChIKey of ethane;N-methylformamide;1-methylpiperazine?
The InChIKey is XMDSMQNDKKHBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.C2H5NO.C2H6/c1-7-4-2-6-3-5-7;1-3-2-4;1-2/h6H,2-5H2,1H3;2H,1H3,(H,3,4);1-2H3.
What are the key properties of ethane;N-methylformamide;1-methylpiperazine?
ethane;N-methylformamide;1-methylpiperazine has a molecular weight of 189.30 g/mol, XLogP of -0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methylformamide;1-methylpiperazine is sourced from PubChem (CID 142853452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).