CID 159491699

C28H50N6Sr — CID 159491699

IUPAC—
SMILESCC1=C(C)/C(=N\C(C)(C)C)N/C1=N/C(C)(C)C.CC1=C(C)/C(=N\C(C)(C)C)N/C1=N/C(C)(C)C.[Sr]
InChIInChI=1S/2C14H25N3.Sr/c2*1-9-10(2)12(17-14(6,7)8)15-11(9)16-13(3,4)5;/h2*1-8H3,(H,15,16,17);
InChIKeyLYGQZRAQGBVJFE-UHFFFAOYSA-N
MW558.37 g/mol
LogP6.26
Rot. Bonds

About CID 159491699

CID 159491699 (PubChem CID 159491699) has the molecular formula C28H50N6Sr and a molecular weight of 558.37 g/mol.

Molecular Properties

Compound NameCID 159491699
PubChem CID159491699
Molecular FormulaC28H50N6Sr
Molecular Weight558.37 g/mol
Exact Mass558.32
IUPAC Name—
SMILESCC1=C(C)/C(=N\C(C)(C)C)N/C1=N/C(C)(C)C.CC1=C(C)/C(=N\C(C)(C)C)N/C1=N/C(C)(C)C.[Sr]
InChIInChI=1S/2C14H25N3.Sr/c2*1-9-10(2)12(17-14(6,7)8)15-11(9)16-13(3,4)5;/h2*1-8H3,(H,15,16,17);
InChIKeyLYGQZRAQGBVJFE-UHFFFAOYSA-N
XLogP6.26
TPSA73.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.37
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 159491699?
The IUPAC name of CID 159491699 (CID 159491699) is not available.
What is the SMILES notation for CID 159491699?
The canonical SMILES for CID 159491699 is CC1=C(C)/C(=N\C(C)(C)C)N/C1=N/C(C)(C)C.CC1=C(C)/C(=N\C(C)(C)C)N/C1=N/C(C)(C)C.[Sr].
What is the InChIKey of CID 159491699?
The InChIKey is LYGQZRAQGBVJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H25N3.Sr/c2*1-9-10(2)12(17-14(6,7)8)15-11(9)16-13(3,4)5;/h2*1-8H3,(H,15,16,17);.
What are the key properties of CID 159491699?
CID 159491699 has a molecular weight of 558.37 g/mol, XLogP of 6.26, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159491699 is sourced from PubChem (CID 159491699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).