CID 135008551

C19H35N4O2Se — CID 135008551

IUPAC—
SMILESCC1(C)CC(/N=C(\[Se])NC2CC(C)(C)N([O])C(C)(C)C2)CC(C)(C)N1[O]
InChIInChI=1S/C19H35N4O2Se/c1-16(2)9-13(10-17(3,4)22(16)24)20-15(26)21-14-11-18(5,6)23(25)19(7,8)12-14/h13-14H,9-12H2,1-8H3,(H,20,21)
InChIKeyZLZQWDVOPJMSJO-UHFFFAOYSA-N
MW430.48 g/mol
LogP2.83
Rot. Bonds2

About CID 135008551

CID 135008551 (PubChem CID 135008551) has the molecular formula C19H35N4O2Se and a molecular weight of 430.48 g/mol.

Molecular Properties

Compound NameCID 135008551
PubChem CID135008551
Molecular FormulaC19H35N4O2Se
Molecular Weight430.48 g/mol
Exact Mass431.19
IUPAC Name—
SMILESCC1(C)CC(/N=C(\[Se])NC2CC(C)(C)N([O])C(C)(C)C2)CC(C)(C)N1[O]
InChIInChI=1S/C19H35N4O2Se/c1-16(2)9-13(10-17(3,4)22(16)24)20-15(26)21-14-11-18(5,6)23(25)19(7,8)12-14/h13-14H,9-12H2,1-8H3,(H,20,21)
InChIKeyZLZQWDVOPJMSJO-UHFFFAOYSA-N
XLogP2.83
TPSA70.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 135008551?
The IUPAC name of CID 135008551 (CID 135008551) is not available.
What is the SMILES notation for CID 135008551?
The canonical SMILES for CID 135008551 is CC1(C)CC(/N=C(\[Se])NC2CC(C)(C)N([O])C(C)(C)C2)CC(C)(C)N1[O].
What is the InChIKey of CID 135008551?
The InChIKey is ZLZQWDVOPJMSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N4O2Se/c1-16(2)9-13(10-17(3,4)22(16)24)20-15(26)21-14-11-18(5,6)23(25)19(7,8)12-14/h13-14H,9-12H2,1-8H3,(H,20,21).
What are the key properties of CID 135008551?
CID 135008551 has a molecular weight of 430.48 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135008551 is sourced from PubChem (CID 135008551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).