cobalt(2+);bis(N,N'-di(propan-2-yl)ethanimidamide)

C16H36CoN4+2 — CID 172756363

IUPACcobalt(2+);bis(N,N'-di(propan-2-yl)ethanimidamide)
SMILESC/C(=N\C(C)C)NC(C)C.C/C(=N\C(C)C)NC(C)C.[Co+2]
InChIInChI=1S/2C8H18N2.Co/c2*1-6(2)9-8(5)10-7(3)4;/h2*6-7H,1-5H3,(H,9,10);/q;;+2
InChIKeyLBQSNYLQPZOXLY-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.62
Rot. Bonds4

About cobalt(2+);bis(N,N'-di(propan-2-yl)ethanimidamide)

cobalt(2+);bis(N,N'-di(propan-2-yl)ethanimidamide) (PubChem CID 172756363) has the molecular formula C16H36CoN4+2 and a molecular weight of 343.43 g/mol. Its IUPAC name is cobalt(2+);bis(N,N'-di(propan-2-yl)ethanimidamide).

Molecular Properties

Compound Namecobalt(2+);bis(N,N'-di(propan-2-yl)ethanimidamide)
PubChem CID172756363
Molecular FormulaC16H36CoN4+2
Molecular Weight343.43 g/mol
Exact Mass343.23
IUPAC Namecobalt(2+);bis(N,N'-di(propan-2-yl)ethanimidamide)
SMILESC/C(=N\C(C)C)NC(C)C.C/C(=N\C(C)C)NC(C)C.[Co+2]
InChIInChI=1S/2C8H18N2.Co/c2*1-6(2)9-8(5)10-7(3)4;/h2*6-7H,1-5H3,(H,9,10);/q;;+2
InChIKeyLBQSNYLQPZOXLY-UHFFFAOYSA-N
XLogP3.62
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N,N'-di(propan-2-yl)ethanimidamide
CID 11205611
tris(N,N'-di(propan-2-yl)ethanimidamide);ruthenium
CID 158470992
N'-(1,1-difluoropropan-2-yl)-N-propan-2-ylethanimidamide
CID 168742395
N'-butan-2-yl-N-propan-2-ylethanimidamide
CID 86038990
1,2,3-tri(propan-2-yl)guanidine
CID 547015
N'-ethyl-N-propan-2-ylethanimidamide
CID 21064634
1-(dimethylamino)-2,3-di(propan-2-yl)guanidine
CID 102263494
lithium [N,N'-di(propan-2-yl)carbamimidoyl]-propan-2-ylazanide
CID 101047341
2-(methylamino)-N,N'-di(propan-2-yl)ethanimidamide
CID 101496676
N-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethanimidamide
CID 168742254
N-propan-2-yl-N'-[[4-[[1-(propan-2-ylamino)ethylideneamino]methyl]phenyl]methyl]ethanimidamide
CID 162108259
N-(ethenyliminomethyl)-N'-propan-2-ylethanimidamide
CID 170580907

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis(N,N'-di(propan-2-yl)ethanimidamide)?
The IUPAC name of cobalt(2+);bis(N,N'-di(propan-2-yl)ethanimidamide) (CID 172756363) is cobalt(2+);bis(N,N'-di(propan-2-yl)ethanimidamide).
What is the SMILES notation for cobalt(2+);bis(N,N'-di(propan-2-yl)ethanimidamide)?
The canonical SMILES for cobalt(2+);bis(N,N'-di(propan-2-yl)ethanimidamide) is C/C(=N\C(C)C)NC(C)C.C/C(=N\C(C)C)NC(C)C.[Co+2].
What is the InChIKey of cobalt(2+);bis(N,N'-di(propan-2-yl)ethanimidamide)?
The InChIKey is LBQSNYLQPZOXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H18N2.Co/c2*1-6(2)9-8(5)10-7(3)4;/h2*6-7H,1-5H3,(H,9,10);/q;;+2.
What are the key properties of cobalt(2+);bis(N,N'-di(propan-2-yl)ethanimidamide)?
cobalt(2+);bis(N,N'-di(propan-2-yl)ethanimidamide) has a molecular weight of 343.43 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis(N,N'-di(propan-2-yl)ethanimidamide) is sourced from PubChem (CID 172756363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).