sodium [(dicyanoamino)-propan-2-ylazanidylmethyl]-propan-2-ylazanide

C9H15N5Na- — CID 153420852

IUPACsodium [(dicyanoamino)-propan-2-ylazanidylmethyl]-propan-2-ylazanide
SMILESCC(C)[N-]C([N-]C(C)C)N(C#N)C#N.[Na+]
InChIInChI=1S/C9H15N5.Na/c1-7(2)12-9(13-8(3)4)14(5-10)6-11;/h7-9H,1-4H3;/q-2;+1
InChIKeyXXMXVIQCFOTFJF-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.90
Rot. Bonds5

About sodium [(dicyanoamino)-propan-2-ylazanidylmethyl]-propan-2-ylazanide

sodium [(dicyanoamino)-propan-2-ylazanidylmethyl]-propan-2-ylazanide (PubChem CID 153420852) has the molecular formula C9H15N5Na- and a molecular weight of 216.24 g/mol. Its IUPAC name is sodium [(dicyanoamino)-propan-2-ylazanidylmethyl]-propan-2-ylazanide.

Molecular Properties

Compound Namesodium [(dicyanoamino)-propan-2-ylazanidylmethyl]-propan-2-ylazanide
PubChem CID153420852
Molecular FormulaC9H15N5Na-
Molecular Weight216.24 g/mol
Exact Mass216.12
IUPAC Namesodium [(dicyanoamino)-propan-2-ylazanidylmethyl]-propan-2-ylazanide
SMILESCC(C)[N-]C([N-]C(C)C)N(C#N)C#N.[Na+]
InChIInChI=1S/C9H15N5.Na/c1-7(2)12-9(13-8(3)4)14(5-10)6-11;/h7-9H,1-4H3;/q-2;+1
InChIKeyXXMXVIQCFOTFJF-UHFFFAOYSA-N
XLogP-0.90
TPSA79.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

bis(di(propan-2-yl)azanide);molybdenum(2+)
CID 141200548
carbanide;[[di(propan-2-yl)amino]-propan-2-ylazanidylmethyl]-propan-2-ylazanide;iridium
CID 135011154
di(propan-2-yl)azanide;titanium(3+);dichloride
CID 160772025
2-methylpropanedinitrile
CID 19425
tris(dimethylazanide);bis(di(propan-2-yl)azanide);niobium(5+)
CID 87312528
dicyano-bis[di(propan-2-yl)amino]phosphanium
CID 24975528
sodium;hydride;scandium;hydrate
CID 174797344
sodium;cyanoboranuide;propan-2-ol
CID 174903937
2-[3-(1-cyanoethyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propanenitrile
CID 67925344
disodium;ethene-1,1,2,2-tetracarbonitrile;hydride
CID 173357424
oxalonitrile;tetrakis(propan-2-ol)
CID 175130826
hydron;bis(2-methylpropanenitrile)
CID 174938927

Frequently Asked Questions

What is the IUPAC name of sodium [(dicyanoamino)-propan-2-ylazanidylmethyl]-propan-2-ylazanide?
The IUPAC name of sodium [(dicyanoamino)-propan-2-ylazanidylmethyl]-propan-2-ylazanide (CID 153420852) is sodium [(dicyanoamino)-propan-2-ylazanidylmethyl]-propan-2-ylazanide.
What is the SMILES notation for sodium [(dicyanoamino)-propan-2-ylazanidylmethyl]-propan-2-ylazanide?
The canonical SMILES for sodium [(dicyanoamino)-propan-2-ylazanidylmethyl]-propan-2-ylazanide is CC(C)[N-]C([N-]C(C)C)N(C#N)C#N.[Na+].
What is the InChIKey of sodium [(dicyanoamino)-propan-2-ylazanidylmethyl]-propan-2-ylazanide?
The InChIKey is XXMXVIQCFOTFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5.Na/c1-7(2)12-9(13-8(3)4)14(5-10)6-11;/h7-9H,1-4H3;/q-2;+1.
What are the key properties of sodium [(dicyanoamino)-propan-2-ylazanidylmethyl]-propan-2-ylazanide?
sodium [(dicyanoamino)-propan-2-ylazanidylmethyl]-propan-2-ylazanide has a molecular weight of 216.24 g/mol, XLogP of -0.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium [(dicyanoamino)-propan-2-ylazanidylmethyl]-propan-2-ylazanide is sourced from PubChem (CID 153420852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).