CID 139125050

C15H29N2Se — CID 139125050

IUPAC—
SMILESCCCCN(CCCC)/C([Se])=N/C1CCCCC1
InChIInChI=1S/C15H29N2Se/c1-3-5-12-17(13-6-4-2)15(18)16-14-10-8-7-9-11-14/h14H,3-13H2,1-2H3/b16-15-
InChIKeyFXZSPCXGKPGNKM-NXVVXOECSA-N
MW316.37 g/mol
LogP3.75
Rot. Bonds7

About CID 139125050

CID 139125050 (PubChem CID 139125050) has the molecular formula C15H29N2Se and a molecular weight of 316.37 g/mol.

Molecular Properties

Compound NameCID 139125050
PubChem CID139125050
Molecular FormulaC15H29N2Se
Molecular Weight316.37 g/mol
Exact Mass317.15
IUPAC Name—
SMILESCCCCN(CCCC)/C([Se])=N/C1CCCCC1
InChIInChI=1S/C15H29N2Se/c1-3-5-12-17(13-6-4-2)15(18)16-14-10-8-7-9-11-14/h14H,3-13H2,1-2H3/b16-15-
InChIKeyFXZSPCXGKPGNKM-NXVVXOECSA-N
XLogP3.75
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 53.75
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 139125050?
The IUPAC name of CID 139125050 (CID 139125050) is not available.
What is the SMILES notation for CID 139125050?
The canonical SMILES for CID 139125050 is CCCCN(CCCC)/C([Se])=N/C1CCCCC1.
What is the InChIKey of CID 139125050?
The InChIKey is FXZSPCXGKPGNKM-NXVVXOECSA-N. The full InChI is InChI=1S/C15H29N2Se/c1-3-5-12-17(13-6-4-2)15(18)16-14-10-8-7-9-11-14/h14H,3-13H2,1-2H3/b16-15-.
What are the key properties of CID 139125050?
CID 139125050 has a molecular weight of 316.37 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139125050 is sourced from PubChem (CID 139125050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).