CID 10874011

C16H26NOSe — CID 10874011

IUPAC—
SMILESC[C@H]([C]1[CH][CH][CH][C]1[Se]CC1CC(C)(C)CO1)N(C)C
InChIInChI=1S/C16H26NOSe/c1-12(17(4)5)14-7-6-8-15(14)19-10-13-9-16(2,3)11-18-13/h6-8,12-13H,9-11H2,1-5H3/t12-,13?/m1/s1
InChIKeyLROHQFGIAJDLRX-PZORYLMUSA-N
MW327.35 g/mol
LogP2.61
Rot. Bonds5

About CID 10874011

CID 10874011 (PubChem CID 10874011) has the molecular formula C16H26NOSe and a molecular weight of 327.35 g/mol.

Molecular Properties

Compound NameCID 10874011
PubChem CID10874011
Molecular FormulaC16H26NOSe
Molecular Weight327.35 g/mol
Exact Mass328.12
IUPAC Name—
SMILESC[C@H]([C]1[CH][CH][CH][C]1[Se]CC1CC(C)(C)CO1)N(C)C
InChIInChI=1S/C16H26NOSe/c1-12(17(4)5)14-7-6-8-15(14)19-10-13-9-16(2,3)11-18-13/h6-8,12-13H,9-11H2,1-5H3/t12-,13?/m1/s1
InChIKeyLROHQFGIAJDLRX-PZORYLMUSA-N
XLogP2.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 10874011?
The IUPAC name of CID 10874011 (CID 10874011) is not available.
What is the SMILES notation for CID 10874011?
The canonical SMILES for CID 10874011 is C[C@H]([C]1[CH][CH][CH][C]1[Se]CC1CC(C)(C)CO1)N(C)C.
What is the InChIKey of CID 10874011?
The InChIKey is LROHQFGIAJDLRX-PZORYLMUSA-N. The full InChI is InChI=1S/C16H26NOSe/c1-12(17(4)5)14-7-6-8-15(14)19-10-13-9-16(2,3)11-18-13/h6-8,12-13H,9-11H2,1-5H3/t12-,13?/m1/s1.
What are the key properties of CID 10874011?
CID 10874011 has a molecular weight of 327.35 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10874011 is sourced from PubChem (CID 10874011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).