6-benzylimino-5-methylheptan-2-ol

C15H23NO — CID 123386976

IUPAC6-benzylimino-5-methylheptan-2-ol
SMILESC/C(=N\Cc1ccccc1)C(C)CCC(C)O
InChIInChI=1S/C15H23NO/c1-12(9-10-13(2)17)14(3)16-11-15-7-5-4-6-8-15/h4-8,12-13,17H,9-11H2,1-3H3/b16-14+
InChIKeyVUQDTBVHKZNTDV-JQIJEIRASA-N
MW233.36 g/mol
LogP3.44
Rot. Bonds6

About 6-benzylimino-5-methylheptan-2-ol

6-benzylimino-5-methylheptan-2-ol (PubChem CID 123386976) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 6-benzylimino-5-methylheptan-2-ol.

Molecular Properties

Compound Name6-benzylimino-5-methylheptan-2-ol
PubChem CID123386976
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name6-benzylimino-5-methylheptan-2-ol
SMILESC/C(=N\Cc1ccccc1)C(C)CCC(C)O
InChIInChI=1S/C15H23NO/c1-12(9-10-13(2)17)14(3)16-11-15-7-5-4-6-8-15/h4-8,12-13,17H,9-11H2,1-3H3/b16-14+
InChIKeyVUQDTBVHKZNTDV-JQIJEIRASA-N
XLogP3.44
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.44
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-(4-Fluorophenyl)-2-(3-methylbutan-2-ylideneamino)ethanol
CID 123696022
(2R)-2-(butylideneamino)-2-phenylethanol
CID 12170642
(1R)-3-benzylimino-1-phenylbutan-1-ol
CID 102365805
5-Benzyliminopentan-1-ol
CID 130129561
2-(Benzylimino)-1-phenylpropan-1-ol
CID 132275807
(2S,3S)-1-benzyliminoheptadecane-2,3-diol
CID 134845816
N-benzyl-3-methyloxan-2-imine
CID 134893941
(2S)-4-benzylimino-4-phenylbutan-2-ol
CID 134966557
(2R)-4-isocyano-4-phenylbutan-2-ol
CID 138967605
4-Benzylimino-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol
CID 101451067
(1R)-2,2-difluoro-6-[(1R)-1-phenylethyl]iminocyclohexan-1-ol
CID 146808072
4-Benzylimino-2-methylpentan-2-ol
CID 792883

Frequently Asked Questions

What is the IUPAC name of 6-benzylimino-5-methylheptan-2-ol?
The IUPAC name of 6-benzylimino-5-methylheptan-2-ol (CID 123386976) is 6-benzylimino-5-methylheptan-2-ol.
What is the SMILES notation for 6-benzylimino-5-methylheptan-2-ol?
The canonical SMILES for 6-benzylimino-5-methylheptan-2-ol is C/C(=N\Cc1ccccc1)C(C)CCC(C)O.
What is the InChIKey of 6-benzylimino-5-methylheptan-2-ol?
The InChIKey is VUQDTBVHKZNTDV-JQIJEIRASA-N. The full InChI is InChI=1S/C15H23NO/c1-12(9-10-13(2)17)14(3)16-11-15-7-5-4-6-8-15/h4-8,12-13,17H,9-11H2,1-3H3/b16-14+.
What are the key properties of 6-benzylimino-5-methylheptan-2-ol?
6-benzylimino-5-methylheptan-2-ol has a molecular weight of 233.36 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzylimino-5-methylheptan-2-ol is sourced from PubChem (CID 123386976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).