ethane;N-methyl-5-(4-methylpiperazin-1-yl)pentan-1-amine

C13H31N3 — CID 165116575

IUPACethane;N-methyl-5-(4-methylpiperazin-1-yl)pentan-1-amine
SMILESCC.CNCCCCCN1CCN(C)CC1
InChIInChI=1S/C11H25N3.C2H6/c1-12-6-4-3-5-7-14-10-8-13(2)9-11-14;1-2/h12H,3-11H2,1-2H3;1-2H3
InChIKeyGEBPSKOEUZGYQW-UHFFFAOYSA-N
MW229.41 g/mol
LogP1.65
Rot. Bonds6

About ethane;N-methyl-5-(4-methylpiperazin-1-yl)pentan-1-amine

ethane;N-methyl-5-(4-methylpiperazin-1-yl)pentan-1-amine (PubChem CID 165116575) has the molecular formula C13H31N3 and a molecular weight of 229.41 g/mol. Its IUPAC name is ethane;N-methyl-5-(4-methylpiperazin-1-yl)pentan-1-amine.

Molecular Properties

Compound Nameethane;N-methyl-5-(4-methylpiperazin-1-yl)pentan-1-amine
PubChem CID165116575
Molecular FormulaC13H31N3
Molecular Weight229.41 g/mol
Exact Mass229.25
IUPAC Nameethane;N-methyl-5-(4-methylpiperazin-1-yl)pentan-1-amine
SMILESCC.CNCCCCCN1CCN(C)CC1
InChIInChI=1S/C11H25N3.C2H6/c1-12-6-4-3-5-7-14-10-8-13(2)9-11-14;1-2/h12H,3-11H2,1-2H3;1-2H3
InChIKeyGEBPSKOEUZGYQW-UHFFFAOYSA-N
XLogP1.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 143417391
N-methyl-5-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine
CID 62418821
5-(4-tert-butylpiperazin-1-yl)-N-methylpentan-1-amine
CID 55072251
4-(azocan-1-yl)-N-methylbutan-1-amine
CID 60841178
4-(4-methylpiperazin-1-yl)butylhydrazine
CID 118629290
5-(4-methylpiperazin-1-yl)-N-propan-2-ylpentan-1-amine
CID 62438503
N-[6-(4-methylpiperazin-1-yl)hexyl]formamide
CID 167037670
4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylbutan-1-amine
CID 60840838
1-(9-bromononyl)-4-methylpiperazine
CID 105343553
ethane;N-methyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine
CID 171070522
N-methyl-3-(4-propylpiperazin-1-yl)propan-1-amine
CID 59478173
ethane;methane;3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine
CID 165403738

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-5-(4-methylpiperazin-1-yl)pentan-1-amine?
The IUPAC name of ethane;N-methyl-5-(4-methylpiperazin-1-yl)pentan-1-amine (CID 165116575) is ethane;N-methyl-5-(4-methylpiperazin-1-yl)pentan-1-amine.
What is the SMILES notation for ethane;N-methyl-5-(4-methylpiperazin-1-yl)pentan-1-amine?
The canonical SMILES for ethane;N-methyl-5-(4-methylpiperazin-1-yl)pentan-1-amine is CC.CNCCCCCN1CCN(C)CC1.
What is the InChIKey of ethane;N-methyl-5-(4-methylpiperazin-1-yl)pentan-1-amine?
The InChIKey is GEBPSKOEUZGYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3.C2H6/c1-12-6-4-3-5-7-14-10-8-13(2)9-11-14;1-2/h12H,3-11H2,1-2H3;1-2H3.
What are the key properties of ethane;N-methyl-5-(4-methylpiperazin-1-yl)pentan-1-amine?
ethane;N-methyl-5-(4-methylpiperazin-1-yl)pentan-1-amine has a molecular weight of 229.41 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-5-(4-methylpiperazin-1-yl)pentan-1-amine is sourced from PubChem (CID 165116575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).