CID 167522281

C18H34NO2Y- — CID 167522281

IUPAC—
SMILESCCC.C[C@H](CC(=O)N1[CH-]C2C(C1)C2(C)C)OC(C)(C)C.[Y]
InChIInChI=1S/C15H26NO2.C3H8.Y/c1-10(18-14(2,3)4)7-13(17)16-8-11-12(9-16)15(11,5)6;1-3-2;/h8,10-12H,7,9H2,1-6H3;3H2,1-2H3;/q-1;;/t10-,11?,12?;;/m1../s1
InChIKeyYJBOIYOANGWBNE-DDSAHXNVSA-N
MW385.38 g/mol
LogP4.27
Rot. Bonds3

About CID 167522281

CID 167522281 (PubChem CID 167522281) has the molecular formula C18H34NO2Y- and a molecular weight of 385.38 g/mol.

Molecular Properties

Compound NameCID 167522281
PubChem CID167522281
Molecular FormulaC18H34NO2Y-
Molecular Weight385.38 g/mol
Exact Mass385.17
IUPAC Name—
SMILESCCC.C[C@H](CC(=O)N1[CH-]C2C(C1)C2(C)C)OC(C)(C)C.[Y]
InChIInChI=1S/C15H26NO2.C3H8.Y/c1-10(18-14(2,3)4)7-13(17)16-8-11-12(9-16)15(11,5)6;1-3-2;/h8,10-12H,7,9H2,1-6H3;3H2,1-2H3;/q-1;;/t10-,11?,12?;;/m1../s1
InChIKeyYJBOIYOANGWBNE-DDSAHXNVSA-N
XLogP4.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 167522281?
The IUPAC name of CID 167522281 (CID 167522281) is not available.
What is the SMILES notation for CID 167522281?
The canonical SMILES for CID 167522281 is CCC.C[C@H](CC(=O)N1[CH-]C2C(C1)C2(C)C)OC(C)(C)C.[Y].
What is the InChIKey of CID 167522281?
The InChIKey is YJBOIYOANGWBNE-DDSAHXNVSA-N. The full InChI is InChI=1S/C15H26NO2.C3H8.Y/c1-10(18-14(2,3)4)7-13(17)16-8-11-12(9-16)15(11,5)6;1-3-2;/h8,10-12H,7,9H2,1-6H3;3H2,1-2H3;/q-1;;/t10-,11?,12?;;/m1../s1.
What are the key properties of CID 167522281?
CID 167522281 has a molecular weight of 385.38 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167522281 is sourced from PubChem (CID 167522281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).