CID 162472671

C26H41N5-4 — CID 162472671

IUPAC—
SMILESC=[N+]1C2=CC=C[C-]1CN([CH2-])[C@H]1CCCC[C@@H]1N([CH2-])CCN([CH2-])[C@H]1CCCC[C@@H]1N([CH2-])C2
InChIInChI=1S/C26H41N5/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/h10-12,23-26H,1-9,13-20H2/q-4/t23-,24-,25-,26-/m0/s1
InChIKeyDOPWHVMQFWDVEP-CQJMVLFOSA-N
MW423.65 g/mol
LogP3.70
Rot. Bonds

About CID 162472671

CID 162472671 (PubChem CID 162472671) has the molecular formula C26H41N5-4 and a molecular weight of 423.65 g/mol.

Molecular Properties

Compound NameCID 162472671
PubChem CID162472671
Molecular FormulaC26H41N5-4
Molecular Weight423.65 g/mol
Exact Mass423.34
IUPAC Name—
SMILESC=[N+]1C2=CC=C[C-]1CN([CH2-])[C@H]1CCCC[C@@H]1N([CH2-])CCN([CH2-])[C@H]1CCCC[C@@H]1N([CH2-])C2
InChIInChI=1S/C26H41N5/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/h10-12,23-26H,1-9,13-20H2/q-4/t23-,24-,25-,26-/m0/s1
InChIKeyDOPWHVMQFWDVEP-CQJMVLFOSA-N
XLogP3.70
TPSA15.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.65
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 162472671?
The IUPAC name of CID 162472671 (CID 162472671) is not available.
What is the SMILES notation for CID 162472671?
The canonical SMILES for CID 162472671 is C=[N+]1C2=CC=C[C-]1CN([CH2-])[C@H]1CCCC[C@@H]1N([CH2-])CCN([CH2-])[C@H]1CCCC[C@@H]1N([CH2-])C2.
What is the InChIKey of CID 162472671?
The InChIKey is DOPWHVMQFWDVEP-CQJMVLFOSA-N. The full InChI is InChI=1S/C26H41N5/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/h10-12,23-26H,1-9,13-20H2/q-4/t23-,24-,25-,26-/m0/s1.
What are the key properties of CID 162472671?
CID 162472671 has a molecular weight of 423.65 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162472671 is sourced from PubChem (CID 162472671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).