CID 13440858

C11H14NSe — CID 13440858

IUPAC—
SMILESCCC/C([Se])=N/Cc1ccccc1
InChIInChI=1S/C11H14NSe/c1-2-6-11(13)12-9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3/b12-11-
InChIKeyRRAKCFSGATUGSN-QXMHVHEDSA-N
MW239.20 g/mol
LogP2.55
Rot. Bonds4

About CID 13440858

CID 13440858 (PubChem CID 13440858) has the molecular formula C11H14NSe and a molecular weight of 239.20 g/mol.

Molecular Properties

Compound NameCID 13440858
PubChem CID13440858
Molecular FormulaC11H14NSe
Molecular Weight239.20 g/mol
Exact Mass240.03
IUPAC Name—
SMILESCCC/C([Se])=N/Cc1ccccc1
InChIInChI=1S/C11H14NSe/c1-2-6-11(13)12-9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3/b12-11-
InChIKeyRRAKCFSGATUGSN-QXMHVHEDSA-N
XLogP2.55
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-1-phenylpentan-1-imine
CID 20688068
N'-benzylpropanimidamide
CID 45122449
propyl N-benzylethanimidothioate
CID 118312662
N-benzyl-2,4-dimethylpentan-3-imine
CID 15160187
N-(1-phenylpentan-2-ylidene)hydroxylamine
CID 131860547
N'-benzyl-N,N-dimethylethanimidamide
CID 525276
2-benzyl-1-propoxyguanidine
CID 130609795
N-benzyl-1-[5-(N-benzyl-C-methylcarbonimidoyl)furan-2-yl]ethanimine
CID 20701710
N-benzyl-1,1-di(selenophen-2-yl)methanimine
CID 132543807
3-benzyliminobutanoic acid
CID 23175618
N'-benzyl-2-hydroxyethanimidamide
CID 90668671
N-(N-acetyl-N'-benzylcarbamimidoyl)acetamide
CID 121007598

Frequently Asked Questions

What is the IUPAC name of CID 13440858?
The IUPAC name of CID 13440858 (CID 13440858) is not available.
What is the SMILES notation for CID 13440858?
The canonical SMILES for CID 13440858 is CCC/C([Se])=N/Cc1ccccc1.
What is the InChIKey of CID 13440858?
The InChIKey is RRAKCFSGATUGSN-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H14NSe/c1-2-6-11(13)12-9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3/b12-11-.
What are the key properties of CID 13440858?
CID 13440858 has a molecular weight of 239.20 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 13440858 is sourced from PubChem (CID 13440858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).