CID 162472663

C22H37N5 — CID 162472663

IUPAC—
SMILESC=[N+]1C2=CC=C[C-]1CN[C@H]1CCCC[C@@H]1NCCN[C@H]1CCCC[C@@H]1NC2
InChIInChI=1S/C22H37N5/c1-27-17-7-6-8-18(27)16-26-22-12-5-3-10-20(22)24-14-13-23-19-9-2-4-11-21(19)25-15-17/h6-8,19-26H,1-5,9-16H2/t19-,20-,21-,22-/m0/s1
InChIKeyKAKSZEATRZGSTH-CMOCDZPBSA-N
MW371.57 g/mol
LogP1.68
Rot. Bonds

About CID 162472663

CID 162472663 (PubChem CID 162472663) has the molecular formula C22H37N5 and a molecular weight of 371.57 g/mol.

Molecular Properties

Compound NameCID 162472663
PubChem CID162472663
Molecular FormulaC22H37N5
Molecular Weight371.57 g/mol
Exact Mass371.30
IUPAC Name—
SMILESC=[N+]1C2=CC=C[C-]1CN[C@H]1CCCC[C@@H]1NCCN[C@H]1CCCC[C@@H]1NC2
InChIInChI=1S/C22H37N5/c1-27-17-7-6-8-18(27)16-26-22-12-5-3-10-20(22)24-14-13-23-19-9-2-4-11-21(19)25-15-17/h6-8,19-26H,1-5,9-16H2/t19-,20-,21-,22-/m0/s1
InChIKeyKAKSZEATRZGSTH-CMOCDZPBSA-N
XLogP1.68
TPSA51.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.57
LogP ≤ 51.68
H-Bond Donors ≤ 54
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 162472663?
The IUPAC name of CID 162472663 (CID 162472663) is not available.
What is the SMILES notation for CID 162472663?
The canonical SMILES for CID 162472663 is C=[N+]1C2=CC=C[C-]1CN[C@H]1CCCC[C@@H]1NCCN[C@H]1CCCC[C@@H]1NC2.
What is the InChIKey of CID 162472663?
The InChIKey is KAKSZEATRZGSTH-CMOCDZPBSA-N. The full InChI is InChI=1S/C22H37N5/c1-27-17-7-6-8-18(27)16-26-22-12-5-3-10-20(22)24-14-13-23-19-9-2-4-11-21(19)25-15-17/h6-8,19-26H,1-5,9-16H2/t19-,20-,21-,22-/m0/s1.
What are the key properties of CID 162472663?
CID 162472663 has a molecular weight of 371.57 g/mol, XLogP of 1.68, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162472663 is sourced from PubChem (CID 162472663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).