4-(ethylaminomethyl)hexan-2-one;N-methanidylethanamine;tungsten(2+)

C12H26N2OW — CID 21043817

IUPAC4-(ethylaminomethyl)hexan-2-one;N-methanidylethanamine;tungsten(2+)
SMILES[CH2-]C(=O)CC(CC)CNCC.[CH2-]NCC.[W+2]
InChIInChI=1S/C9H18NO.C3H8N.W/c1-4-9(6-8(3)11)7-10-5-2;1-3-4-2;/h9-10H,3-7H2,1-2H3;4H,2-3H2,1H3;/q2*-1;+2
InChIKeyBIDQHBHVNYPPNL-UHFFFAOYSA-N
MW398.19 g/mol
LogP1.80
Rot. Bonds7

About 4-(ethylaminomethyl)hexan-2-one;N-methanidylethanamine;tungsten(2+)

4-(ethylaminomethyl)hexan-2-one;N-methanidylethanamine;tungsten(2+) (PubChem CID 21043817) has the molecular formula C12H26N2OW and a molecular weight of 398.19 g/mol. Its IUPAC name is 4-(ethylaminomethyl)hexan-2-one;N-methanidylethanamine;tungsten(2+).

Molecular Properties

Compound Name4-(ethylaminomethyl)hexan-2-one;N-methanidylethanamine;tungsten(2+)
PubChem CID21043817
Molecular FormulaC12H26N2OW
Molecular Weight398.19 g/mol
Exact Mass398.16
IUPAC Name4-(ethylaminomethyl)hexan-2-one;N-methanidylethanamine;tungsten(2+)
SMILES[CH2-]C(=O)CC(CC)CNCC.[CH2-]NCC.[W+2]
InChIInChI=1S/C9H18NO.C3H8N.W/c1-4-9(6-8(3)11)7-10-5-2;1-3-4-2;/h9-10H,3-7H2,1-2H3;4H,2-3H2,1H3;/q2*-1;+2
InChIKeyBIDQHBHVNYPPNL-UHFFFAOYSA-N
XLogP1.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.19
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)hexan-2-one;N-methanidylethanamine;tungsten(2+)?
The IUPAC name of 4-(ethylaminomethyl)hexan-2-one;N-methanidylethanamine;tungsten(2+) (CID 21043817) is 4-(ethylaminomethyl)hexan-2-one;N-methanidylethanamine;tungsten(2+).
What is the SMILES notation for 4-(ethylaminomethyl)hexan-2-one;N-methanidylethanamine;tungsten(2+)?
The canonical SMILES for 4-(ethylaminomethyl)hexan-2-one;N-methanidylethanamine;tungsten(2+) is [CH2-]C(=O)CC(CC)CNCC.[CH2-]NCC.[W+2].
What is the InChIKey of 4-(ethylaminomethyl)hexan-2-one;N-methanidylethanamine;tungsten(2+)?
The InChIKey is BIDQHBHVNYPPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO.C3H8N.W/c1-4-9(6-8(3)11)7-10-5-2;1-3-4-2;/h9-10H,3-7H2,1-2H3;4H,2-3H2,1H3;/q2*-1;+2.
What are the key properties of 4-(ethylaminomethyl)hexan-2-one;N-methanidylethanamine;tungsten(2+)?
4-(ethylaminomethyl)hexan-2-one;N-methanidylethanamine;tungsten(2+) has a molecular weight of 398.19 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)hexan-2-one;N-methanidylethanamine;tungsten(2+) is sourced from PubChem (CID 21043817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).