CID 139125053

C7H15N2Se — CID 139125053

IUPAC—
SMILESCN(C)/C([Se])=N/C(C)(C)C
InChIInChI=1S/C7H15N2Se/c1-7(2,3)8-6(10)9(4)5/h1-5H3/b8-6-
InChIKeyNLIHLSVRMSZXOG-VURMDHGXSA-N
MW206.17 g/mol
LogP0.87
Rot. Bonds

About CID 139125053

CID 139125053 (PubChem CID 139125053) has the molecular formula C7H15N2Se and a molecular weight of 206.17 g/mol.

Molecular Properties

Compound NameCID 139125053
PubChem CID139125053
Molecular FormulaC7H15N2Se
Molecular Weight206.17 g/mol
Exact Mass207.04
IUPAC Name—
SMILESCN(C)/C([Se])=N/C(C)(C)C
InChIInChI=1S/C7H15N2Se/c1-7(2,3)8-6(10)9(4)5/h1-5H3/b8-6-
InChIKeyNLIHLSVRMSZXOG-VURMDHGXSA-N
XLogP0.87
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 50.87
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 139125053?
The IUPAC name of CID 139125053 (CID 139125053) is not available.
What is the SMILES notation for CID 139125053?
The canonical SMILES for CID 139125053 is CN(C)/C([Se])=N/C(C)(C)C.
What is the InChIKey of CID 139125053?
The InChIKey is NLIHLSVRMSZXOG-VURMDHGXSA-N. The full InChI is InChI=1S/C7H15N2Se/c1-7(2,3)8-6(10)9(4)5/h1-5H3/b8-6-.
What are the key properties of CID 139125053?
CID 139125053 has a molecular weight of 206.17 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139125053 is sourced from PubChem (CID 139125053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).