(C,N-diethylcarbonimidoyl)-ethylazanide;scandium

C7H15N2Sc- — CID 177116218

IUPAC(C,N-diethylcarbonimidoyl)-ethylazanide;scandium
SMILESCC/N=C(\CC)[N-]CC.[Sc]
InChIInChI=1S/C7H15N2.Sc/c1-4-7(8-5-2)9-6-3;/h4-6H2,1-3H3;/q-1;
InChIKeyRVIVOKNHRMWQFJ-UHFFFAOYSA-N
MW172.17 g/mol
LogP2.21
Rot. Bonds3

About (C,N-diethylcarbonimidoyl)-ethylazanide;scandium

(C,N-diethylcarbonimidoyl)-ethylazanide;scandium (PubChem CID 177116218) has the molecular formula C7H15N2Sc- and a molecular weight of 172.17 g/mol. Its IUPAC name is (C,N-diethylcarbonimidoyl)-ethylazanide;scandium.

Molecular Properties

Compound Name(C,N-diethylcarbonimidoyl)-ethylazanide;scandium
PubChem CID177116218
Molecular FormulaC7H15N2Sc-
Molecular Weight172.17 g/mol
Exact Mass172.08
IUPAC Name(C,N-diethylcarbonimidoyl)-ethylazanide;scandium
SMILESCC/N=C(\CC)[N-]CC.[Sc]
InChIInChI=1S/C7H15N2.Sc/c1-4-7(8-5-2)9-6-3;/h4-6H2,1-3H3;/q-1;
InChIKeyRVIVOKNHRMWQFJ-UHFFFAOYSA-N
XLogP2.21
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.17
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-ethylpropanimidoyl iodide
CID 134920122
N-ethyl-1,1-difluoromethanimine
CID 23233688
2-ethylguanidine;nitrous acid
CID 174966669
2-amino-2-ethyliminoacetic acid
CID 12538241
(C,N-dipropylcarbonimidoyl)-propylazanide;scandium
CID 177116216
N'-ethyl-N-hydrazinylpropanimidamide
CID 129166827
N,N'-diethylpropanimidamide;hydrochloride
CID 172818517
1-cyano-N'-ethyl-N-methylidenemethanimidamide
CID 155332325
O-(N'-ethylcarbamimidoyl) carbamothioate
CID 21150656
2-ethylimino-2-methylsulfanylacetic acid
CID 87606633
ethane;N'-ethyl-N-ethylidenepropanimidamide
CID 153334388
(N-tert-butyl-C-ethylcarbonimidoyl)-(2,2,2-trifluoroethyl)azanide;zinc
CID 168742270

Frequently Asked Questions

What is the IUPAC name of (C,N-diethylcarbonimidoyl)-ethylazanide;scandium?
The IUPAC name of (C,N-diethylcarbonimidoyl)-ethylazanide;scandium (CID 177116218) is (C,N-diethylcarbonimidoyl)-ethylazanide;scandium.
What is the SMILES notation for (C,N-diethylcarbonimidoyl)-ethylazanide;scandium?
The canonical SMILES for (C,N-diethylcarbonimidoyl)-ethylazanide;scandium is CC/N=C(\CC)[N-]CC.[Sc].
What is the InChIKey of (C,N-diethylcarbonimidoyl)-ethylazanide;scandium?
The InChIKey is RVIVOKNHRMWQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N2.Sc/c1-4-7(8-5-2)9-6-3;/h4-6H2,1-3H3;/q-1;.
What are the key properties of (C,N-diethylcarbonimidoyl)-ethylazanide;scandium?
(C,N-diethylcarbonimidoyl)-ethylazanide;scandium has a molecular weight of 172.17 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (C,N-diethylcarbonimidoyl)-ethylazanide;scandium is sourced from PubChem (CID 177116218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).