4-(N-ethoxy-C-methylcarbonimidoyl)heptan-4-ol

C11H23NO2 — CID 3074066

IUPAC4-(N-ethoxy-C-methylcarbonimidoyl)heptan-4-ol
SMILESCCCC(O)(CCC)C(C)=NOCC
InChIInChI=1S/C11H23NO2/c1-5-8-11(13,9-6-2)10(4)12-14-7-3/h13H,5-9H2,1-4H3
InChIKeyBWYWOFIWDZMZRY-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.73
Rot. Bonds7

About 4-(N-ethoxy-C-methylcarbonimidoyl)heptan-4-ol

4-(N-ethoxy-C-methylcarbonimidoyl)heptan-4-ol (PubChem CID 3074066) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 4-(N-ethoxy-C-methylcarbonimidoyl)heptan-4-ol.

Molecular Properties

Compound Name4-(N-ethoxy-C-methylcarbonimidoyl)heptan-4-ol
PubChem CID3074066
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name4-(N-ethoxy-C-methylcarbonimidoyl)heptan-4-ol
SMILESCCCC(O)(CCC)C(C)=NOCC
InChIInChI=1S/C11H23NO2/c1-5-8-11(13,9-6-2)10(4)12-14-7-3/h13H,5-9H2,1-4H3
InChIKeyBWYWOFIWDZMZRY-UHFFFAOYSA-N
XLogP2.73
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(Z)-N-ethoxy-C-methylcarbonimidoyl]heptan-4-ol
CID 6510140
cerium;4-(C,N-dimethylcarbonimidoyl)heptan-4-ol
CID 153491929
4-(C,N-dimethylcarbonimidoyl)heptan-4-ol;ytterbium
CID 153491793
4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;promethium
CID 153491888
4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;thulium
CID 153491901
4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;lanthanum
CID 153491751
4-(N-ethyl-C-methylcarbonimidoyl)heptan-4-ol;neodymium
CID 153491806
4-(C-methyl-N-propan-2-ylcarbonimidoyl)heptan-4-ol;promethium
CID 153491768
2-N,3-N-diethoxybutane-2,3-diimine
CID 20677078
3-ethyl-2-ethyliminohexan-3-ol;lanthanum
CID 153491876
N-ethoxybutan-2-imine
CID 54202913
(E)-3,3-dimethyl-N-propoxybutan-2-imine
CID 88538853

Frequently Asked Questions

What is the IUPAC name of 4-(N-ethoxy-C-methylcarbonimidoyl)heptan-4-ol?
The IUPAC name of 4-(N-ethoxy-C-methylcarbonimidoyl)heptan-4-ol (CID 3074066) is 4-(N-ethoxy-C-methylcarbonimidoyl)heptan-4-ol.
What is the SMILES notation for 4-(N-ethoxy-C-methylcarbonimidoyl)heptan-4-ol?
The canonical SMILES for 4-(N-ethoxy-C-methylcarbonimidoyl)heptan-4-ol is CCCC(O)(CCC)C(C)=NOCC.
What is the InChIKey of 4-(N-ethoxy-C-methylcarbonimidoyl)heptan-4-ol?
The InChIKey is BWYWOFIWDZMZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-8-11(13,9-6-2)10(4)12-14-7-3/h13H,5-9H2,1-4H3.
What are the key properties of 4-(N-ethoxy-C-methylcarbonimidoyl)heptan-4-ol?
4-(N-ethoxy-C-methylcarbonimidoyl)heptan-4-ol has a molecular weight of 201.31 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-ethoxy-C-methylcarbonimidoyl)heptan-4-ol is sourced from PubChem (CID 3074066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).