CID 166570488

C25H53N4O2+2 — CID 166570488

IUPAC—
SMILESCC1(C)CC([N+](C)(C)CCC[N+](C)(C)C2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1[O]
InChIInChI=1S/C25H53N4O2/c1-22(2)16-20(17-23(3,4)26(22)30)28(9,10)14-13-15-29(11,12)21-18-24(5,6)27(31)25(7,8)19-21/h20-21,30H,13-19H2,1-12H3/q+2
InChIKeyNBDZWQXHGNBHCB-UHFFFAOYSA-N
MW441.73 g/mol
LogP4.31
Rot. Bonds6

About CID 166570488

CID 166570488 (PubChem CID 166570488) has the molecular formula C25H53N4O2+2 and a molecular weight of 441.73 g/mol.

Molecular Properties

Compound NameCID 166570488
PubChem CID166570488
Molecular FormulaC25H53N4O2+2
Molecular Weight441.73 g/mol
Exact Mass441.42
IUPAC Name—
SMILESCC1(C)CC([N+](C)(C)CCC[N+](C)(C)C2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1[O]
InChIInChI=1S/C25H53N4O2/c1-22(2)16-20(17-23(3,4)26(22)30)28(9,10)14-13-15-29(11,12)21-18-24(5,6)27(31)25(7,8)19-21/h20-21,30H,13-19H2,1-12H3/q+2
InChIKeyNBDZWQXHGNBHCB-UHFFFAOYSA-N
XLogP4.31
TPSA46.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.73
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze CID 166570488 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 166570488?
The IUPAC name of CID 166570488 (CID 166570488) is not available.
What is the SMILES notation for CID 166570488?
The canonical SMILES for CID 166570488 is CC1(C)CC([N+](C)(C)CCC[N+](C)(C)C2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1[O].
What is the InChIKey of CID 166570488?
The InChIKey is NBDZWQXHGNBHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H53N4O2/c1-22(2)16-20(17-23(3,4)26(22)30)28(9,10)14-13-15-29(11,12)21-18-24(5,6)27(31)25(7,8)19-21/h20-21,30H,13-19H2,1-12H3/q+2.
What are the key properties of CID 166570488?
CID 166570488 has a molecular weight of 441.73 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166570488 is sourced from PubChem (CID 166570488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).