CID 139125049

C10H19N2Se — CID 139125049

IUPAC—
SMILESCCN(C)/C([Se])=N/C1CCCCC1
InChIInChI=1S/C10H19N2Se/c1-3-12(2)10(13)11-9-7-5-4-6-8-9/h9H,3-8H2,1-2H3/b11-10-
InChIKeyYUVKEHJWWPQQKJ-KHPPLWFESA-N
MW246.24 g/mol
LogP1.80
Rot. Bonds2

About CID 139125049

CID 139125049 (PubChem CID 139125049) has the molecular formula C10H19N2Se and a molecular weight of 246.24 g/mol.

Molecular Properties

Compound NameCID 139125049
PubChem CID139125049
Molecular FormulaC10H19N2Se
Molecular Weight246.24 g/mol
Exact Mass247.07
IUPAC Name—
SMILESCCN(C)/C([Se])=N/C1CCCCC1
InChIInChI=1S/C10H19N2Se/c1-3-12(2)10(13)11-9-7-5-4-6-8-9/h9H,3-8H2,1-2H3/b11-10-
InChIKeyYUVKEHJWWPQQKJ-KHPPLWFESA-N
XLogP1.80
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.80
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 139125049?
The IUPAC name of CID 139125049 (CID 139125049) is not available.
What is the SMILES notation for CID 139125049?
The canonical SMILES for CID 139125049 is CCN(C)/C([Se])=N/C1CCCCC1.
What is the InChIKey of CID 139125049?
The InChIKey is YUVKEHJWWPQQKJ-KHPPLWFESA-N. The full InChI is InChI=1S/C10H19N2Se/c1-3-12(2)10(13)11-9-7-5-4-6-8-9/h9H,3-8H2,1-2H3/b11-10-.
What are the key properties of CID 139125049?
CID 139125049 has a molecular weight of 246.24 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139125049 is sourced from PubChem (CID 139125049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).