3-(4-ethylhexan-2-ylideneamino)propan-1-ol

C11H23NO — CID 142873055

IUPAC3-(4-ethylhexan-2-ylideneamino)propan-1-ol
SMILESCCC(CC)C/C(C)=N/CCCO
InChIInChI=1S/C11H23NO/c1-4-11(5-2)9-10(3)12-7-6-8-13/h11,13H,4-9H2,1-3H3/b12-10+
InChIKeyVZRSPIMIDWIVGM-ZRDIBKRKSA-N
MW185.31 g/mol
LogP2.66
Rot. Bonds7

About 3-(4-ethylhexan-2-ylideneamino)propan-1-ol

3-(4-ethylhexan-2-ylideneamino)propan-1-ol (PubChem CID 142873055) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-(4-ethylhexan-2-ylideneamino)propan-1-ol.

Molecular Properties

Compound Name3-(4-ethylhexan-2-ylideneamino)propan-1-ol
PubChem CID142873055
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-(4-ethylhexan-2-ylideneamino)propan-1-ol
SMILESCCC(CC)C/C(C)=N/CCCO
InChIInChI=1S/C11H23NO/c1-4-11(5-2)9-10(3)12-7-6-8-13/h11,13H,4-9H2,1-3H3/b12-10+
InChIKeyVZRSPIMIDWIVGM-ZRDIBKRKSA-N
XLogP2.66
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylhexan-2-ylideneamino)propan-1-ol?
The IUPAC name of 3-(4-ethylhexan-2-ylideneamino)propan-1-ol (CID 142873055) is 3-(4-ethylhexan-2-ylideneamino)propan-1-ol.
What is the SMILES notation for 3-(4-ethylhexan-2-ylideneamino)propan-1-ol?
The canonical SMILES for 3-(4-ethylhexan-2-ylideneamino)propan-1-ol is CCC(CC)C/C(C)=N/CCCO.
What is the InChIKey of 3-(4-ethylhexan-2-ylideneamino)propan-1-ol?
The InChIKey is VZRSPIMIDWIVGM-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-11(5-2)9-10(3)12-7-6-8-13/h11,13H,4-9H2,1-3H3/b12-10+.
What are the key properties of 3-(4-ethylhexan-2-ylideneamino)propan-1-ol?
3-(4-ethylhexan-2-ylideneamino)propan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylhexan-2-ylideneamino)propan-1-ol is sourced from PubChem (CID 142873055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).