CID 139125044

C11H21N2Se — CID 139125044

IUPAC—
SMILESCCN(CC)/C([Se])=N/C1CCCCC1
InChIInChI=1S/C11H21N2Se/c1-3-13(4-2)11(14)12-10-8-6-5-7-9-10/h10H,3-9H2,1-2H3/b12-11-
InChIKeyYZMMARITRYDIER-QXMHVHEDSA-N
MW260.26 g/mol
LogP2.19
Rot. Bonds3

About CID 139125044

CID 139125044 (PubChem CID 139125044) has the molecular formula C11H21N2Se and a molecular weight of 260.26 g/mol.

Molecular Properties

Compound NameCID 139125044
PubChem CID139125044
Molecular FormulaC11H21N2Se
Molecular Weight260.26 g/mol
Exact Mass261.09
IUPAC Name—
SMILESCCN(CC)/C([Se])=N/C1CCCCC1
InChIInChI=1S/C11H21N2Se/c1-3-13(4-2)11(14)12-10-8-6-5-7-9-10/h10H,3-9H2,1-2H3/b12-11-
InChIKeyYZMMARITRYDIER-QXMHVHEDSA-N
XLogP2.19
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.19
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'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 139125044?
The IUPAC name of CID 139125044 (CID 139125044) is not available.
What is the SMILES notation for CID 139125044?
The canonical SMILES for CID 139125044 is CCN(CC)/C([Se])=N/C1CCCCC1.
What is the InChIKey of CID 139125044?
The InChIKey is YZMMARITRYDIER-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H21N2Se/c1-3-13(4-2)11(14)12-10-8-6-5-7-9-10/h10H,3-9H2,1-2H3/b12-11-.
What are the key properties of CID 139125044?
CID 139125044 has a molecular weight of 260.26 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139125044 is sourced from PubChem (CID 139125044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).