2-(aziridin-1-yl)ethanamine;dichloronickel

C4H10Cl2N2Ni — CID 15821369

IUPAC2-(aziridin-1-yl)ethanamine;dichloronickel
SMILESCl[Ni]Cl.NCCN1CC1
InChIInChI=1S/C4H10N2.2ClH.Ni/c5-1-2-6-3-4-6;;;/h1-5H2;2*1H;/q;;;+2/p-2
InChIKeyBZEHDCQAUVRUKW-UHFFFAOYSA-L
MW215.74 g/mol
LogP0.64
Rot. Bonds2

About 2-(aziridin-1-yl)ethanamine;dichloronickel

2-(aziridin-1-yl)ethanamine;dichloronickel (PubChem CID 15821369) has the molecular formula C4H10Cl2N2Ni and a molecular weight of 215.74 g/mol. Its IUPAC name is 2-(aziridin-1-yl)ethanamine;dichloronickel.

Molecular Properties

Compound Name2-(aziridin-1-yl)ethanamine;dichloronickel
PubChem CID15821369
Molecular FormulaC4H10Cl2N2Ni
Molecular Weight215.74 g/mol
Exact Mass213.96
IUPAC Name2-(aziridin-1-yl)ethanamine;dichloronickel
SMILESCl[Ni]Cl.NCCN1CC1
InChIInChI=1S/C4H10N2.2ClH.Ni/c5-1-2-6-3-4-6;;;/h1-5H2;2*1H;/q;;;+2/p-2
InChIKeyBZEHDCQAUVRUKW-UHFFFAOYSA-L
XLogP0.64
TPSA29.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.74
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-fluoroethyl)piperazin-1-yl]ethanamine
CID 80698853
2-(4-iodopiperazin-1-yl)ethanamine
CID 89179522
2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanamine
CID 82890041
2-[4-(2-aminoethyl)piperazin-1-yl]ethanol;trihydrochloride
CID 167741748
N'-[4-(2-aminoethyl)piperazin-1-yl]-N'-methylmethanediamine
CID 58743576
methane;2-piperidin-1-ylethanamine
CID 158303452
2-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanamine
CID 130322012
[4-(2-aminoethyl)piperazin-1-yl]methanone
CID 163757589
ethane;2-(4-methylpiperidin-1-yl)ethanamine
CID 143291209
2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
CID 4742453
2-[4-(2-aminoethyl)piperazin-1-yl]ethanamine;2-[4-(cyanomethyl)piperazin-1-yl]acetonitrile
CID 157308516
2-[4-(methoxymethyl)piperazin-1-yl]ethanamine
CID 176691327

Frequently Asked Questions

What is the IUPAC name of 2-(aziridin-1-yl)ethanamine;dichloronickel?
The IUPAC name of 2-(aziridin-1-yl)ethanamine;dichloronickel (CID 15821369) is 2-(aziridin-1-yl)ethanamine;dichloronickel.
What is the SMILES notation for 2-(aziridin-1-yl)ethanamine;dichloronickel?
The canonical SMILES for 2-(aziridin-1-yl)ethanamine;dichloronickel is Cl[Ni]Cl.NCCN1CC1.
What is the InChIKey of 2-(aziridin-1-yl)ethanamine;dichloronickel?
The InChIKey is BZEHDCQAUVRUKW-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H10N2.2ClH.Ni/c5-1-2-6-3-4-6;;;/h1-5H2;2*1H;/q;;;+2/p-2.
What are the key properties of 2-(aziridin-1-yl)ethanamine;dichloronickel?
2-(aziridin-1-yl)ethanamine;dichloronickel has a molecular weight of 215.74 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aziridin-1-yl)ethanamine;dichloronickel is sourced from PubChem (CID 15821369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).