CID 162472672

C26H45N5 — CID 162472672

IUPAC—
SMILESC=[N+]1C2=CC=C[C-]1C[NH+]([CH2-])[C@@H]1CCCC[C@H]1[NH+]([CH2-])CC[NH+]([CH2-])[C@@H]1CCCC[C@H]1[NH+]([CH2-])C2
InChIInChI=1S/C26H45N5/c1-27-17-18-28(2)24-14-7-9-16-26(24)30(4)20-22-12-10-11-21(31(22)5)19-29(3)25-15-8-6-13-23(25)27/h10-12,23-30H,1-9,13-20H2/t23-,24-,25-,26-/m1/s1
InChIKeyPATJVXCUFORJPQ-VEYUFSJPSA-N
MW427.68 g/mol
LogP-1.97
Rot. Bonds

About CID 162472672

CID 162472672 (PubChem CID 162472672) has the molecular formula C26H45N5 and a molecular weight of 427.68 g/mol.

Molecular Properties

Compound NameCID 162472672
PubChem CID162472672
Molecular FormulaC26H45N5
Molecular Weight427.68 g/mol
Exact Mass427.37
IUPAC Name—
SMILESC=[N+]1C2=CC=C[C-]1C[NH+]([CH2-])[C@@H]1CCCC[C@H]1[NH+]([CH2-])CC[NH+]([CH2-])[C@@H]1CCCC[C@H]1[NH+]([CH2-])C2
InChIInChI=1S/C26H45N5/c1-27-17-18-28(2)24-14-7-9-16-26(24)30(4)20-22-12-10-11-21(31(22)5)19-29(3)25-15-8-6-13-23(25)27/h10-12,23-30H,1-9,13-20H2/t23-,24-,25-,26-/m1/s1
InChIKeyPATJVXCUFORJPQ-VEYUFSJPSA-N
XLogP-1.97
TPSA20.77 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.68
LogP ≤ 5-1.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 162472672?
The IUPAC name of CID 162472672 (CID 162472672) is not available.
What is the SMILES notation for CID 162472672?
The canonical SMILES for CID 162472672 is C=[N+]1C2=CC=C[C-]1C[NH+]([CH2-])[C@@H]1CCCC[C@H]1[NH+]([CH2-])CC[NH+]([CH2-])[C@@H]1CCCC[C@H]1[NH+]([CH2-])C2.
What is the InChIKey of CID 162472672?
The InChIKey is PATJVXCUFORJPQ-VEYUFSJPSA-N. The full InChI is InChI=1S/C26H45N5/c1-27-17-18-28(2)24-14-7-9-16-26(24)30(4)20-22-12-10-11-21(31(22)5)19-29(3)25-15-8-6-13-23(25)27/h10-12,23-30H,1-9,13-20H2/t23-,24-,25-,26-/m1/s1.
What are the key properties of CID 162472672?
CID 162472672 has a molecular weight of 427.68 g/mol, XLogP of -1.97, 0 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162472672 is sourced from PubChem (CID 162472672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).