4-(benzylamino)butane-1-selenol

C11H17NSe — CID 175343698

IUPAC4-(benzylamino)butane-1-selenol
SMILES[SeH]CCCCNCc1ccccc1
InChIInChI=1S/C11H17NSe/c13-9-5-4-8-12-10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2
InChIKeyDUYWVIPVSRTRMK-UHFFFAOYSA-N
MW242.22 g/mol
LogP1.88
Rot. Bonds6

About 4-(benzylamino)butane-1-selenol

4-(benzylamino)butane-1-selenol (PubChem CID 175343698) has the molecular formula C11H17NSe and a molecular weight of 242.22 g/mol. Its IUPAC name is 4-(benzylamino)butane-1-selenol.

Molecular Properties

Compound Name4-(benzylamino)butane-1-selenol
PubChem CID175343698
Molecular FormulaC11H17NSe
Molecular Weight242.22 g/mol
Exact Mass243.05
IUPAC Name4-(benzylamino)butane-1-selenol
SMILES[SeH]CCCCNCc1ccccc1
InChIInChI=1S/C11H17NSe/c13-9-5-4-8-12-10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2
InChIKeyDUYWVIPVSRTRMK-UHFFFAOYSA-N
XLogP1.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 72715173
N-benzyl-13-[2-[3-(benzylamino)propyl]hydrazinyl]tridecan-1-amine
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N'-benzylheptane-1,7-diamine
CID 61150072
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N'-benzyldodecane-1,12-diamine
CID 10589617
N-benzyl-5-silylpentan-1-amine
CID 123625500
N,N'-bis[(4-phenylphenyl)methyl]butane-1,4-diamine
CID 10273675
N-(2-aminoethyl)-N'-[2-(benzylamino)ethyl]octane-1,8-diamine
CID 67649302
N-benzyltridecan-1-amine;hydrochloride
CID 173249552
N-benzyl-3-phenoxypropan-1-amine
CID 13291924
5-[4-(benzylamino)butylamino]pentan-1-ol
CID 22006369

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)butane-1-selenol?
The IUPAC name of 4-(benzylamino)butane-1-selenol (CID 175343698) is 4-(benzylamino)butane-1-selenol.
What is the SMILES notation for 4-(benzylamino)butane-1-selenol?
The canonical SMILES for 4-(benzylamino)butane-1-selenol is [SeH]CCCCNCc1ccccc1.
What is the InChIKey of 4-(benzylamino)butane-1-selenol?
The InChIKey is DUYWVIPVSRTRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NSe/c13-9-5-4-8-12-10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2.
What are the key properties of 4-(benzylamino)butane-1-selenol?
4-(benzylamino)butane-1-selenol has a molecular weight of 242.22 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)butane-1-selenol is sourced from PubChem (CID 175343698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).