(C,N-dipropylcarbonimidoyl)-propylazanide;scandium

C10H21N2Sc- — CID 177116216

IUPAC(C,N-dipropylcarbonimidoyl)-propylazanide;scandium
SMILESCCC/N=C(\CCC)[N-]CCC.[Sc]
InChIInChI=1S/C10H21N2.Sc/c1-4-7-10(11-8-5-2)12-9-6-3;/h4-9H2,1-3H3;/q-1;
InChIKeyCUKZEFQUULOOHZ-UHFFFAOYSA-N
MW214.25 g/mol
LogP3.38
Rot. Bonds6

About (C,N-dipropylcarbonimidoyl)-propylazanide;scandium

(C,N-dipropylcarbonimidoyl)-propylazanide;scandium (PubChem CID 177116216) has the molecular formula C10H21N2Sc- and a molecular weight of 214.25 g/mol. Its IUPAC name is (C,N-dipropylcarbonimidoyl)-propylazanide;scandium.

Molecular Properties

Compound Name(C,N-dipropylcarbonimidoyl)-propylazanide;scandium
PubChem CID177116216
Molecular FormulaC10H21N2Sc-
Molecular Weight214.25 g/mol
Exact Mass214.13
IUPAC Name(C,N-dipropylcarbonimidoyl)-propylazanide;scandium
SMILESCCC/N=C(\CCC)[N-]CCC.[Sc]
InChIInChI=1S/C10H21N2.Sc/c1-4-7-10(11-8-5-2)12-9-6-3;/h4-9H2,1-3H3;/q-1;
InChIKeyCUKZEFQUULOOHZ-UHFFFAOYSA-N
XLogP3.38
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 53.38
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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Frequently Asked Questions

What is the IUPAC name of (C,N-dipropylcarbonimidoyl)-propylazanide;scandium?
The IUPAC name of (C,N-dipropylcarbonimidoyl)-propylazanide;scandium (CID 177116216) is (C,N-dipropylcarbonimidoyl)-propylazanide;scandium.
What is the SMILES notation for (C,N-dipropylcarbonimidoyl)-propylazanide;scandium?
The canonical SMILES for (C,N-dipropylcarbonimidoyl)-propylazanide;scandium is CCC/N=C(\CCC)[N-]CCC.[Sc].
What is the InChIKey of (C,N-dipropylcarbonimidoyl)-propylazanide;scandium?
The InChIKey is CUKZEFQUULOOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N2.Sc/c1-4-7-10(11-8-5-2)12-9-6-3;/h4-9H2,1-3H3;/q-1;.
What are the key properties of (C,N-dipropylcarbonimidoyl)-propylazanide;scandium?
(C,N-dipropylcarbonimidoyl)-propylazanide;scandium has a molecular weight of 214.25 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (C,N-dipropylcarbonimidoyl)-propylazanide;scandium is sourced from PubChem (CID 177116216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).