(2S)-2-(benzylideneamino)-3-methylbutan-1-ol

C12H17NO — CID 10726389

IUPAC(2S)-2-(benzylideneamino)-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)/N=C/c1ccccc1
InChIInChI=1S/C12H17NO/c1-10(2)12(9-14)13-8-11-6-4-3-5-7-11/h3-8,10,12,14H,9H2,1-2H3/b13-8+/t12-/m1/s1
InChIKeyOGQZBDRRMKWHTQ-FMNNIJNLSA-N
MW191.27 g/mol
LogP2.12
Rot. Bonds4

About (2S)-2-(benzylideneamino)-3-methylbutan-1-ol

(2S)-2-(benzylideneamino)-3-methylbutan-1-ol (PubChem CID 10726389) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (2S)-2-(benzylideneamino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-(benzylideneamino)-3-methylbutan-1-ol
PubChem CID10726389
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(2S)-2-(benzylideneamino)-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)/N=C/c1ccccc1
InChIInChI=1S/C12H17NO/c1-10(2)12(9-14)13-8-11-6-4-3-5-7-11/h3-8,10,12,14H,9H2,1-2H3/b13-8+/t12-/m1/s1
InChIKeyOGQZBDRRMKWHTQ-FMNNIJNLSA-N
XLogP2.12
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.12
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)-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-(benzylideneamino)-3-methylbutan-1-ol (CID 10726389) is (2S)-2-(benzylideneamino)-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-(benzylideneamino)-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-(benzylideneamino)-3-methylbutan-1-ol is CC(C)[C@@H](CO)/N=C/c1ccccc1.
What is the InChIKey of (2S)-2-(benzylideneamino)-3-methylbutan-1-ol?
The InChIKey is OGQZBDRRMKWHTQ-FMNNIJNLSA-N. The full InChI is InChI=1S/C12H17NO/c1-10(2)12(9-14)13-8-11-6-4-3-5-7-11/h3-8,10,12,14H,9H2,1-2H3/b13-8+/t12-/m1/s1.
What are the key properties of (2S)-2-(benzylideneamino)-3-methylbutan-1-ol?
(2S)-2-(benzylideneamino)-3-methylbutan-1-ol has a molecular weight of 191.27 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzylideneamino)-3-methylbutan-1-ol is sourced from PubChem (CID 10726389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).