3-(benzylideneamino)butan-1-ol

C11H15NO — CID 101452219

IUPAC3-(benzylideneamino)butan-1-ol
SMILESCC(CCO)/N=C/c1ccccc1
InChIInChI=1S/C11H15NO/c1-10(7-8-13)12-9-11-5-3-2-4-6-11/h2-6,9-10,13H,7-8H2,1H3/b12-9+
InChIKeyROSUTAHFPSTJPJ-FMIVXFBMSA-N
MW177.25 g/mol
LogP1.88
Rot. Bonds4

About 3-(benzylideneamino)butan-1-ol

3-(benzylideneamino)butan-1-ol (PubChem CID 101452219) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-(benzylideneamino)butan-1-ol.

Molecular Properties

Compound Name3-(benzylideneamino)butan-1-ol
PubChem CID101452219
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3-(benzylideneamino)butan-1-ol
SMILESCC(CCO)/N=C/c1ccccc1
InChIInChI=1S/C11H15NO/c1-10(7-8-13)12-9-11-5-3-2-4-6-11/h2-6,9-10,13H,7-8H2,1H3/b12-9+
InChIKeyROSUTAHFPSTJPJ-FMIVXFBMSA-N
XLogP1.88
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.88
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

2,5-bis(benzylideneamino)hexanoic acid
CID 118619521
1-(benzylideneamino)ethanol
CID 66697160
N-[(2R,3R)-3-(benzylideneamino)butan-2-yl]-1-phenylmethanimine
CID 929328
N-butan-2-yl-1-[3-(butan-2-yliminomethyl)phenyl]methanimine
CID 102190554
(2R)-2-(benzylideneamino)-4-methylpentanamide
CID 71352667
N-(2-methyl-1-phenylpropyl)-1-phenylmethanimine
CID 12733574
N-[(2S)-octadec-4-en-2-yl]-1-phenylmethanimine
CID 91020618
N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]-1-phenylmethanimine
CID 10353167
3-methylbutan-1-ol;phenol;ytterbium
CID 139987500
N-[bis(trimethylsilyl)methyl]-1-phenylmethanimine
CID 71344888
methyl 2-(benzylideneamino)-4-methylpentanoate
CID 599873
N-[(2S)-3-methyl-1-phenylmethoxybutan-2-yl]-1-phenylmethanimine
CID 15397255

Frequently Asked Questions

What is the IUPAC name of 3-(benzylideneamino)butan-1-ol?
The IUPAC name of 3-(benzylideneamino)butan-1-ol (CID 101452219) is 3-(benzylideneamino)butan-1-ol.
What is the SMILES notation for 3-(benzylideneamino)butan-1-ol?
The canonical SMILES for 3-(benzylideneamino)butan-1-ol is CC(CCO)/N=C/c1ccccc1.
What is the InChIKey of 3-(benzylideneamino)butan-1-ol?
The InChIKey is ROSUTAHFPSTJPJ-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H15NO/c1-10(7-8-13)12-9-11-5-3-2-4-6-11/h2-6,9-10,13H,7-8H2,1H3/b12-9+.
What are the key properties of 3-(benzylideneamino)butan-1-ol?
3-(benzylideneamino)butan-1-ol has a molecular weight of 177.25 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylideneamino)butan-1-ol is sourced from PubChem (CID 101452219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).