4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;neodymium

C11H23NNdO — CID 153491806

IUPAC4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;neodymium
SMILESCCCC(O)(CCC)/C(C)=N/CC.[Nd]
InChIInChI=1S/C11H23NO.Nd/c1-5-8-11(13,9-6-2)10(4)12-7-3;/h13H,5-9H2,1-4H3;/b12-10+;
InChIKeyCVUSUSZSSGGFSJ-VHPXAQPISA-N
MW329.55 g/mol
LogP2.80
Rot. Bonds6

About 4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;neodymium

4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;neodymium (PubChem CID 153491806) has the molecular formula C11H23NNdO and a molecular weight of 329.55 g/mol. Its IUPAC name is 4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;neodymium.

Molecular Properties

Compound Name4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;neodymium
PubChem CID153491806
Molecular FormulaC11H23NNdO
Molecular Weight329.55 g/mol
Exact Mass327.09
IUPAC Name4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;neodymium
SMILESCCCC(O)(CCC)/C(C)=N/CC.[Nd]
InChIInChI=1S/C11H23NO.Nd/c1-5-8-11(13,9-6-2)10(4)12-7-3;/h13H,5-9H2,1-4H3;/b12-10+;
InChIKeyCVUSUSZSSGGFSJ-VHPXAQPISA-N
XLogP2.80
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.55
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;neodymium?
The IUPAC name of 4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;neodymium (CID 153491806) is 4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;neodymium.
What is the SMILES notation for 4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;neodymium?
The canonical SMILES for 4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;neodymium is CCCC(O)(CCC)/C(C)=N/CC.[Nd].
What is the InChIKey of 4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;neodymium?
The InChIKey is CVUSUSZSSGGFSJ-VHPXAQPISA-N. The full InChI is InChI=1S/C11H23NO.Nd/c1-5-8-11(13,9-6-2)10(4)12-7-3;/h13H,5-9H2,1-4H3;/b12-10+;.
What are the key properties of 4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;neodymium?
4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;neodymium has a molecular weight of 329.55 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;neodymium is sourced from PubChem (CID 153491806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).