CID 139125042

C9H17N2Se — CID 139125042

IUPAC—
SMILESCC(C)(C)/N=C(\[Se])N1CCCC1
InChIInChI=1S/C9H17N2Se/c1-9(2,3)10-8(12)11-6-4-5-7-11/h4-7H2,1-3H3/b10-8-
InChIKeyJGIVXLUSGDCALL-NTMALXAHSA-N
MW232.21 g/mol
LogP1.41
Rot. Bonds

About CID 139125042

CID 139125042 (PubChem CID 139125042) has the molecular formula C9H17N2Se and a molecular weight of 232.21 g/mol.

Molecular Properties

Compound NameCID 139125042
PubChem CID139125042
Molecular FormulaC9H17N2Se
Molecular Weight232.21 g/mol
Exact Mass233.06
IUPAC Name—
SMILESCC(C)(C)/N=C(\[Se])N1CCCC1
InChIInChI=1S/C9H17N2Se/c1-9(2,3)10-8(12)11-6-4-5-7-11/h4-7H2,1-3H3/b10-8-
InChIKeyJGIVXLUSGDCALL-NTMALXAHSA-N
XLogP1.41
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 51.41
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 139125042?
The IUPAC name of CID 139125042 (CID 139125042) is not available.
What is the SMILES notation for CID 139125042?
The canonical SMILES for CID 139125042 is CC(C)(C)/N=C(\[Se])N1CCCC1.
What is the InChIKey of CID 139125042?
The InChIKey is JGIVXLUSGDCALL-NTMALXAHSA-N. The full InChI is InChI=1S/C9H17N2Se/c1-9(2,3)10-8(12)11-6-4-5-7-11/h4-7H2,1-3H3/b10-8-.
What are the key properties of CID 139125042?
CID 139125042 has a molecular weight of 232.21 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139125042 is sourced from PubChem (CID 139125042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).