5-(benzylamino)pentan-1-ol

C12H19NO — CID 17206415

IUPAC5-(benzylamino)pentan-1-ol
SMILESOCCCCCNCc1ccccc1
InChIInChI=1S/C12H19NO/c14-10-6-2-5-9-13-11-12-7-3-1-4-8-12/h1,3-4,7-8,13-14H,2,5-6,9-11H2
InChIKeyYMNRQBMCCMQGSH-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.94
Rot. Bonds7

About 5-(benzylamino)pentan-1-ol

5-(benzylamino)pentan-1-ol (PubChem CID 17206415) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 5-(benzylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(benzylamino)pentan-1-ol
PubChem CID17206415
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name5-(benzylamino)pentan-1-ol
SMILESOCCCCCNCc1ccccc1
InChIInChI=1S/C12H19NO/c14-10-6-2-5-9-13-11-12-7-3-1-4-8-12/h1,3-4,7-8,13-14H,2,5-6,9-11H2
InChIKeyYMNRQBMCCMQGSH-UHFFFAOYSA-N
XLogP1.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(benzylamino)pentan-1-ol?
The IUPAC name of 5-(benzylamino)pentan-1-ol (CID 17206415) is 5-(benzylamino)pentan-1-ol.
What is the SMILES notation for 5-(benzylamino)pentan-1-ol?
The canonical SMILES for 5-(benzylamino)pentan-1-ol is OCCCCCNCc1ccccc1.
What is the InChIKey of 5-(benzylamino)pentan-1-ol?
The InChIKey is YMNRQBMCCMQGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c14-10-6-2-5-9-13-11-12-7-3-1-4-8-12/h1,3-4,7-8,13-14H,2,5-6,9-11H2.
What are the key properties of 5-(benzylamino)pentan-1-ol?
5-(benzylamino)pentan-1-ol has a molecular weight of 193.29 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylamino)pentan-1-ol is sourced from PubChem (CID 17206415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).