ethane;3-piperazin-4-id-1-ylbenzene-1,2-diamine;tungsten

C12H21N4W- — CID 158057474

IUPACethane;3-piperazin-4-id-1-ylbenzene-1,2-diamine;tungsten
SMILESCC.Nc1cccc(N2CC[N-]CC2)c1N.[W]
InChIInChI=1S/C10H15N4.C2H6.W/c11-8-2-1-3-9(10(8)12)14-6-4-13-5-7-14;1-2;/h1-3H,4-7,11-12H2;1-2H3;/q-1;;
InChIKeyXAGKANXCRWTIAE-UHFFFAOYSA-N
MW405.17 g/mol
LogP2.07
Rot. Bonds1

About ethane;3-piperazin-4-id-1-ylbenzene-1,2-diamine;tungsten

ethane;3-piperazin-4-id-1-ylbenzene-1,2-diamine;tungsten (PubChem CID 158057474) has the molecular formula C12H21N4W- and a molecular weight of 405.17 g/mol. Its IUPAC name is ethane;3-piperazin-4-id-1-ylbenzene-1,2-diamine;tungsten.

Molecular Properties

Compound Nameethane;3-piperazin-4-id-1-ylbenzene-1,2-diamine;tungsten
PubChem CID158057474
Molecular FormulaC12H21N4W-
Molecular Weight405.17 g/mol
Exact Mass405.13
IUPAC Nameethane;3-piperazin-4-id-1-ylbenzene-1,2-diamine;tungsten
SMILESCC.Nc1cccc(N2CC[N-]CC2)c1N.[W]
InChIInChI=1S/C10H15N4.C2H6.W/c11-8-2-1-3-9(10(8)12)14-6-4-13-5-7-14;1-2;/h1-3H,4-7,11-12H2;1-2H3;/q-1;;
InChIKeyXAGKANXCRWTIAE-UHFFFAOYSA-N
XLogP2.07
TPSA69.38 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.17
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2,3-diaminophenyl)piperazine-1-carboxylic acid
CID 141138614
3-[4-(2-isocyanoethyl)piperazin-1-yl]benzene-1,2-diamine
CID 156708225
methanamine;2-pyrrolidin-1-ylaniline
CID 143665772
3-(4,4-difluoropiperidin-1-yl)-2-methoxyaniline
CID 166176382
2-methyl-6-thiomorpholin-4-ylaniline
CID 67763024
2-amino-6-(4,4-difluoropiperidin-1-yl)benzonitrile
CID 171835918
1-(2-amino-3-methoxyphenyl)-4-methylpiperidin-4-ol
CID 113392759
ethane;3-(4-methylpiperazin-1-yl)-2-nitroaniline
CID 144667576
2-(4-tert-butylpiperazin-1-yl)aniline
CID 28800635
3-(4-cyclopropylpiperazin-1-yl)-2-methylaniline
CID 55147181
2-(8-azaspiro[4.5]decan-8-yl)-6-chloroaniline
CID 104834515
2-(2-piperazin-1-ylphenyl)aniline
CID 118221589

Frequently Asked Questions

What is the IUPAC name of ethane;3-piperazin-4-id-1-ylbenzene-1,2-diamine;tungsten?
The IUPAC name of ethane;3-piperazin-4-id-1-ylbenzene-1,2-diamine;tungsten (CID 158057474) is ethane;3-piperazin-4-id-1-ylbenzene-1,2-diamine;tungsten.
What is the SMILES notation for ethane;3-piperazin-4-id-1-ylbenzene-1,2-diamine;tungsten?
The canonical SMILES for ethane;3-piperazin-4-id-1-ylbenzene-1,2-diamine;tungsten is CC.Nc1cccc(N2CC[N-]CC2)c1N.[W].
What is the InChIKey of ethane;3-piperazin-4-id-1-ylbenzene-1,2-diamine;tungsten?
The InChIKey is XAGKANXCRWTIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N4.C2H6.W/c11-8-2-1-3-9(10(8)12)14-6-4-13-5-7-14;1-2;/h1-3H,4-7,11-12H2;1-2H3;/q-1;;.
What are the key properties of ethane;3-piperazin-4-id-1-ylbenzene-1,2-diamine;tungsten?
ethane;3-piperazin-4-id-1-ylbenzene-1,2-diamine;tungsten has a molecular weight of 405.17 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-piperazin-4-id-1-ylbenzene-1,2-diamine;tungsten is sourced from PubChem (CID 158057474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).