2-amino-2-methylpropanediimidamide;azane;cobalt(3+)

C4H20CoN8+3 — CID 6394921

IUPAC2-amino-2-methylpropanediimidamide;azane;cobalt(3+)
SMILESN.N.N.[Co+3].[H]/N=C(\N)C(C)(N)/C(N)=N/[H]
InChIInChI=1S/C4H11N5.Co.3H3N/c1-4(9,2(5)6)3(7)8;;;;/h9H2,1H3,(H3,5,6)(H3,7,8);;3*1H3/q;+3;;;
InChIKeyQMUMJPCPQMYZAM-UHFFFAOYSA-N
MW239.19 g/mol
LogP-0.94
Rot. Bonds2

About 2-amino-2-methylpropanediimidamide;azane;cobalt(3+)

2-amino-2-methylpropanediimidamide;azane;cobalt(3+) (PubChem CID 6394921) has the molecular formula C4H20CoN8+3 and a molecular weight of 239.19 g/mol. Its IUPAC name is 2-amino-2-methylpropanediimidamide;azane;cobalt(3+).

Molecular Properties

Compound Name2-amino-2-methylpropanediimidamide;azane;cobalt(3+)
PubChem CID6394921
Molecular FormulaC4H20CoN8+3
Molecular Weight239.19 g/mol
Exact Mass239.11
IUPAC Name2-amino-2-methylpropanediimidamide;azane;cobalt(3+)
SMILESN.N.N.[Co+3].[H]/N=C(\N)C(C)(N)/C(N)=N/[H]
InChIInChI=1S/C4H11N5.Co.3H3N/c1-4(9,2(5)6)3(7)8;;;;/h9H2,1H3,(H3,5,6)(H3,7,8);;3*1H3/q;+3;;;
InChIKeyQMUMJPCPQMYZAM-UHFFFAOYSA-N
XLogP-0.94
TPSA230.76 Ų
H-Bond Donors8
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.19
LogP ≤ 5-0.94
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2,2-diaminopropanimidamide
CID 87520938
2,2-dimethylpropanimidamide;hydrochloride
CID 2781880
2,2-dimethylpropanediimidamide;dihydrochloride
CID 140977550
2,2-dibromopropanimidamide;dihydrochloride
CID 71777001
3-amino-2,2-dimethylbut-3-enimidamide
CID 163752584
2-hydroxy-2-methylbutanimidamide
CID 23422942
2-methyl-2-nitrosopropanimidamide
CID 55282032
2,2-dichloropropanediimidamide
CID 4114057
2,2,4,4-tetramethylhexanimidamide
CID 123171886
3,3,3-trideuterio-2,2-bis(trideuteriomethyl)propanimidamide;hydrochloride
CID 158084062
2-[(1-amino-2-cyano-1-iminopropan-2-yl)diazenyl]-2-cyanopropanimidamide
CID 102530764
methyl 3-amino-3-imino-2,2-dimethylpropanoate;hydrochloride
CID 170558694

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methylpropanediimidamide;azane;cobalt(3+)?
The IUPAC name of 2-amino-2-methylpropanediimidamide;azane;cobalt(3+) (CID 6394921) is 2-amino-2-methylpropanediimidamide;azane;cobalt(3+).
What is the SMILES notation for 2-amino-2-methylpropanediimidamide;azane;cobalt(3+)?
The canonical SMILES for 2-amino-2-methylpropanediimidamide;azane;cobalt(3+) is N.N.N.[Co+3].[H]/N=C(\N)C(C)(N)/C(N)=N/[H].
What is the InChIKey of 2-amino-2-methylpropanediimidamide;azane;cobalt(3+)?
The InChIKey is QMUMJPCPQMYZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N5.Co.3H3N/c1-4(9,2(5)6)3(7)8;;;;/h9H2,1H3,(H3,5,6)(H3,7,8);;3*1H3/q;+3;;;.
What are the key properties of 2-amino-2-methylpropanediimidamide;azane;cobalt(3+)?
2-amino-2-methylpropanediimidamide;azane;cobalt(3+) has a molecular weight of 239.19 g/mol, XLogP of -0.94, 2 rotatable bonds, 8 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methylpropanediimidamide;azane;cobalt(3+) is sourced from PubChem (CID 6394921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).