(2S)-2-(benzylideneamino)-4-methylpentan-1-ol

C13H19NO — CID 13095527

IUPAC(2S)-2-(benzylideneamino)-4-methylpentan-1-ol
SMILESCC(C)C[C@@H](CO)/N=C/c1ccccc1
InChIInChI=1S/C13H19NO/c1-11(2)8-13(10-15)14-9-12-6-4-3-5-7-12/h3-7,9,11,13,15H,8,10H2,1-2H3/b14-9+/t13-/m0/s1
InChIKeyIPLYRQNDJZPKKZ-FYQHACEVSA-N
MW205.30 g/mol
LogP2.51
Rot. Bonds5

About (2S)-2-(benzylideneamino)-4-methylpentan-1-ol

(2S)-2-(benzylideneamino)-4-methylpentan-1-ol (PubChem CID 13095527) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (2S)-2-(benzylideneamino)-4-methylpentan-1-ol.

Molecular Properties

Compound Name(2S)-2-(benzylideneamino)-4-methylpentan-1-ol
PubChem CID13095527
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(2S)-2-(benzylideneamino)-4-methylpentan-1-ol
SMILESCC(C)C[C@@H](CO)/N=C/c1ccccc1
InChIInChI=1S/C13H19NO/c1-11(2)8-13(10-15)14-9-12-6-4-3-5-7-12/h3-7,9,11,13,15H,8,10H2,1-2H3/b14-9+/t13-/m0/s1
InChIKeyIPLYRQNDJZPKKZ-FYQHACEVSA-N
XLogP2.51
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.51
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 (2S)-2-(benzylideneamino)-4-methylpentan-1-ol?
The IUPAC name of (2S)-2-(benzylideneamino)-4-methylpentan-1-ol (CID 13095527) is (2S)-2-(benzylideneamino)-4-methylpentan-1-ol.
What is the SMILES notation for (2S)-2-(benzylideneamino)-4-methylpentan-1-ol?
The canonical SMILES for (2S)-2-(benzylideneamino)-4-methylpentan-1-ol is CC(C)C[C@@H](CO)/N=C/c1ccccc1.
What is the InChIKey of (2S)-2-(benzylideneamino)-4-methylpentan-1-ol?
The InChIKey is IPLYRQNDJZPKKZ-FYQHACEVSA-N. The full InChI is InChI=1S/C13H19NO/c1-11(2)8-13(10-15)14-9-12-6-4-3-5-7-12/h3-7,9,11,13,15H,8,10H2,1-2H3/b14-9+/t13-/m0/s1.
What are the key properties of (2S)-2-(benzylideneamino)-4-methylpentan-1-ol?
(2S)-2-(benzylideneamino)-4-methylpentan-1-ol has a molecular weight of 205.30 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzylideneamino)-4-methylpentan-1-ol is sourced from PubChem (CID 13095527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).