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

C12H17NO — CID 130129023

IUPAC3-(benzylideneamino)-3-methylbutan-2-ol
SMILESCC(O)C(C)(C)/N=C/c1ccccc1
InChIInChI=1S/C12H17NO/c1-10(14)12(2,3)13-9-11-7-5-4-6-8-11/h4-10,14H,1-3H3/b13-9+
InChIKeyGOINUDJKVLMOOS-UKTHLTGXSA-N
MW191.27 g/mol
LogP2.26
Rot. Bonds3

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

3-(benzylideneamino)-3-methylbutan-2-ol (PubChem CID 130129023) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-(benzylideneamino)-3-methylbutan-2-ol.

Molecular Properties

Compound Name3-(benzylideneamino)-3-methylbutan-2-ol
PubChem CID130129023
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-(benzylideneamino)-3-methylbutan-2-ol
SMILESCC(O)C(C)(C)/N=C/c1ccccc1
InChIInChI=1S/C12H17NO/c1-10(14)12(2,3)13-9-11-7-5-4-6-8-11/h4-10,14H,1-3H3/b13-9+
InChIKeyGOINUDJKVLMOOS-UKTHLTGXSA-N
XLogP2.26
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.26
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

1-(benzylideneamino)-1-phenylethanol
CID 154107002
1-(benzylideneamino)ethanol
CID 66697160
N-[(2R,3R)-3-(benzylideneamino)butan-2-yl]-1-phenylmethanimine
CID 929328
(NZ)-N-benzylidenehydroxylamine;ethane
CID 91038836
N-benzylidenehydroxylamine;ethane
CID 90698406
propan-2-yl 2-(benzylideneamino)-2-methylpent-4-enoate
CID 11780229
ethane;N-methyl-1-phenylmethanimine
CID 90887000
2-(benzylideneamino)-2-methylhexanoic acid
CID 174162002
1-(benzylideneamino)-1-propan-2-ylthiourea
CID 175923797
2-methylprop-2-enyl 2-(benzylideneamino)-2,2-diphenylacetate
CID 102321894
3-(benzylideneamino)butan-1-ol
CID 101452219
(2R)-1-(benzylideneamino)butan-2-ol
CID 99912472

Frequently Asked Questions

What is the IUPAC name of 3-(benzylideneamino)-3-methylbutan-2-ol?
The IUPAC name of 3-(benzylideneamino)-3-methylbutan-2-ol (CID 130129023) is 3-(benzylideneamino)-3-methylbutan-2-ol.
What is the SMILES notation for 3-(benzylideneamino)-3-methylbutan-2-ol?
The canonical SMILES for 3-(benzylideneamino)-3-methylbutan-2-ol is CC(O)C(C)(C)/N=C/c1ccccc1.
What is the InChIKey of 3-(benzylideneamino)-3-methylbutan-2-ol?
The InChIKey is GOINUDJKVLMOOS-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H17NO/c1-10(14)12(2,3)13-9-11-7-5-4-6-8-11/h4-10,14H,1-3H3/b13-9+.
What are the key properties of 3-(benzylideneamino)-3-methylbutan-2-ol?
3-(benzylideneamino)-3-methylbutan-2-ol has a molecular weight of 191.27 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylideneamino)-3-methylbutan-2-ol is sourced from PubChem (CID 130129023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).