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

C11H23NOTm — CID 153491901

IUPAC4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;thulium
SMILESCCCC(O)(CCC)/C(C)=N/CC.[Tm]
InChIInChI=1S/C11H23NO.Tm/c1-5-8-11(13,9-6-2)10(4)12-7-3;/h13H,5-9H2,1-4H3;/b12-10+;
InChIKeyBKQIVZDJZJNJKK-VHPXAQPISA-N
MW354.25 g/mol
LogP2.80
Rot. Bonds6

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

4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;thulium (PubChem CID 153491901) has the molecular formula C11H23NOTm and a molecular weight of 354.25 g/mol. Its IUPAC name is 4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;thulium.

Molecular Properties

Compound Name4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;thulium
PubChem CID153491901
Molecular FormulaC11H23NOTm
Molecular Weight354.25 g/mol
Exact Mass354.11
IUPAC Name4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;thulium
SMILESCCCC(O)(CCC)/C(C)=N/CC.[Tm]
InChIInChI=1S/C11H23NO.Tm/c1-5-8-11(13,9-6-2)10(4)12-7-3;/h13H,5-9H2,1-4H3;/b12-10+;
InChIKeyBKQIVZDJZJNJKK-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 ≤ 500354.25
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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Related Compounds

4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;promethium
CID 153491888
4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;lanthanum
CID 153491751
4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;neodymium
CID 153491806
3-ethyl-2-ethyliminohexan-3-ol;lanthanum
CID 153491876
3-ethyl-2-ethyliminopentan-3-ol;europium
CID 153491784
2-ethylimino-3-methylhexan-3-ol;lanthanum
CID 153491627
cerium;4-(C,N-dimethylcarbonimidoyl)heptan-4-ol
CID 153491929
4-(C,N-dimethylcarbonimidoyl)heptan-4-ol;ytterbium
CID 153491793
4-(C,N-dimethylcarbonimidoyl)heptan-4-ol;3-(C,N-dimethylcarbonimidoyl)-2-methylhexan-3-ol;2-ethylimino-3-propan-2-ylhexan-3-ol;4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;lutetium;2-methyl-3-(C-methyl-N-propan-2-ylcarbonimidoyl)hexan-3-ol;4-(C-methyl-N-propan-2-ylcarbonimidoyl)heptan-4-ol
CID 160728576
4-(C-methyl-N-propan-2-ylcarbonimidoyl)heptan-4-ol;promethium
CID 153491768
4-(N-ethoxy-C-methylcarbonimidoyl)heptan-4-ol
CID 3074066
4-[(Z)-N-ethoxy-C-methylcarbonimidoyl]heptan-4-ol
CID 6510140

Frequently Asked Questions

What is the IUPAC name of 4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;thulium?
The IUPAC name of 4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;thulium (CID 153491901) is 4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;thulium.
What is the SMILES notation for 4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;thulium?
The canonical SMILES for 4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;thulium is CCCC(O)(CCC)/C(C)=N/CC.[Tm].
What is the InChIKey of 4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;thulium?
The InChIKey is BKQIVZDJZJNJKK-VHPXAQPISA-N. The full InChI is InChI=1S/C11H23NO.Tm/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;thulium?
4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;thulium has a molecular weight of 354.25 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;thulium is sourced from PubChem (CID 153491901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).