5-benzyliminopentan-1-ol

C12H17NO — CID 130129561

IUPAC5-benzyliminopentan-1-ol
SMILESOCCCC/C=N/Cc1ccccc1
InChIInChI=1S/C12H17NO/c14-10-6-2-5-9-13-11-12-7-3-1-4-8-12/h1,3-4,7-9,14H,2,5-6,10-11H2/b13-9+
InChIKeyMSZNAJOCDKQFDA-UKTHLTGXSA-N
MW191.27 g/mol
LogP2.42
Rot. Bonds6

About 5-benzyliminopentan-1-ol

5-benzyliminopentan-1-ol (PubChem CID 130129561) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 5-benzyliminopentan-1-ol.

Molecular Properties

Compound Name5-benzyliminopentan-1-ol
PubChem CID130129561
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name5-benzyliminopentan-1-ol
SMILESOCCCC/C=N/Cc1ccccc1
InChIInChI=1S/C12H17NO/c14-10-6-2-5-9-13-11-12-7-3-1-4-8-12/h1,3-4,7-9,14H,2,5-6,10-11H2/b13-9+
InChIKeyMSZNAJOCDKQFDA-UKTHLTGXSA-N
XLogP2.42
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-benzylhexan-1-imine
CID 11816322
N-benzylpentan-1-imine
CID 14522165
N-benzyloxolan-2-imine
CID 14529224
2-(4-Fluorophenyl)-2,3,4,5-tetrahydropyridin-4-ol
CID 90996519
1-[(2,4-Difluorophenyl)methylideneamino]-4-methylpentan-1-ol
CID 151142509
Benzenemethanamine, N-heptylidene-
CID 12164630
(2R)-2-(butylideneamino)-2-phenylethanol
CID 12170642
N-benzyloxan-2-imine
CID 14529227
(2S,3S)-1-benzyliminoheptadecane-2,3-diol
CID 134845816
N-benzyl-3-methyloxan-2-imine
CID 134893941
4-Benzylimino-2-methylpentan-2-ol
CID 792883
4-Benzylimino-2-methylpentan-2-ol;hydrobromide
CID 2827399

Frequently Asked Questions

What is the IUPAC name of 5-benzyliminopentan-1-ol?
The IUPAC name of 5-benzyliminopentan-1-ol (CID 130129561) is 5-benzyliminopentan-1-ol.
What is the SMILES notation for 5-benzyliminopentan-1-ol?
The canonical SMILES for 5-benzyliminopentan-1-ol is OCCCC/C=N/Cc1ccccc1.
What is the InChIKey of 5-benzyliminopentan-1-ol?
The InChIKey is MSZNAJOCDKQFDA-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H17NO/c14-10-6-2-5-9-13-11-12-7-3-1-4-8-12/h1,3-4,7-9,14H,2,5-6,10-11H2/b13-9+.
What are the key properties of 5-benzyliminopentan-1-ol?
5-benzyliminopentan-1-ol has a molecular weight of 191.27 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyliminopentan-1-ol is sourced from PubChem (CID 130129561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).