CID 139125046

C9H17N2Se — CID 139125046

IUPAC—
SMILESCN(C)/C([Se])=N/C1CCCCC1
InChIInChI=1S/C9H17N2Se/c1-11(2)9(12)10-8-6-4-3-5-7-8/h8H,3-7H2,1-2H3/b10-9-
InChIKeyLLJNJYLJDYZIJS-KTKRTIGZSA-N
MW232.21 g/mol
LogP1.41
Rot. Bonds1

About CID 139125046

CID 139125046 (PubChem CID 139125046) has the molecular formula C9H17N2Se and a molecular weight of 232.21 g/mol.

Molecular Properties

Compound NameCID 139125046
PubChem CID139125046
Molecular FormulaC9H17N2Se
Molecular Weight232.21 g/mol
Exact Mass233.06
IUPAC Name—
SMILESCN(C)/C([Se])=N/C1CCCCC1
InChIInChI=1S/C9H17N2Se/c1-11(2)9(12)10-8-6-4-3-5-7-8/h8H,3-7H2,1-2H3/b10-9-
InChIKeyLLJNJYLJDYZIJS-KTKRTIGZSA-N
XLogP1.41
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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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Related Compounds

2-Cyclohexyl-1,1,3,3-tetramethylguanidine
CID 525256
N,N-Dimethyl-N'-cyclohexyl-formamidine
CID 259106
CID 139125043
CID 139125043
CID 139125044
CID 139125044
CID 139125050
CID 139125050
N'-Cyclohexyl-N,N-dimethyl-acetamidine
CID 525279
N'-cyclohexyl-N,N-dimethylcarbamimidoyl chloride
CID 14901392
CID 139125041
CID 139125041
CID 139125048
CID 139125048
CID 139125049
CID 139125049
Cyclohexyl-methyl-(methyliminomethylidene)azanium
CID 54275440
1-(cyclohexyliminomethylideneamino)-N,N-dimethylethanamine
CID 87360750

Frequently Asked Questions

What is the IUPAC name of CID 139125046?
The IUPAC name of CID 139125046 (CID 139125046) is not available.
What is the SMILES notation for CID 139125046?
The canonical SMILES for CID 139125046 is CN(C)/C([Se])=N/C1CCCCC1.
What is the InChIKey of CID 139125046?
The InChIKey is LLJNJYLJDYZIJS-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H17N2Se/c1-11(2)9(12)10-8-6-4-3-5-7-8/h8H,3-7H2,1-2H3/b10-9-.
What are the key properties of CID 139125046?
CID 139125046 has a molecular weight of 232.21 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139125046 is sourced from PubChem (CID 139125046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).