CID 162472670

C26H45N5 — CID 162472670

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-/m0/s1
InChIKeyPATJVXCUFORJPQ-CQJMVLFOSA-N
MW427.68 g/mol
LogP-1.97
Rot. Bonds

About CID 162472670

CID 162472670 (PubChem CID 162472670) has the molecular formula C26H45N5 and a molecular weight of 427.68 g/mol.

Molecular Properties

Compound NameCID 162472670
PubChem CID162472670
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-/m0/s1
InChIKeyPATJVXCUFORJPQ-CQJMVLFOSA-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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Related Compounds

(1R,6R,11R,17Z,20R)-16,18-dimethyl-2,5,12,15,19-pentazatricyclo[18.4.0.06,11]tetracosa-15,17-diene
CID 59529657
(1R,6R,11R,20R)-16,18-dimethyl-2,5,12,15,19-pentazatricyclo[18.4.0.06,11]tetracosa-15,17-diene
CID 70838047
CID 162472672
CID 162472672
CID 163648474
CID 163648474
(1R,6R,11R,20R)-16,18-dimethyl-2,5,12,15,19-pentazatricyclo[18.4.0.06,11]tetracosa-16,18-diene
CID 160920432
CID 162472663
CID 162472663
CID 162472668
CID 162472668
CID 162472671
CID 162472671
CID 162472673
CID 162472673
(3S,8S)-2,9,17,23-tetrazatetracyclo[22.5.0.03,8.010,16]nonacosa-1,10,12,14,16,24,26,28-octaene
CID 177398720
(3R,8R)-2,9,17,24-tetrazatetracyclo[23.5.0.03,8.010,16]triaconta-1,10,12,14,16,25,27,29-octaene
CID 177449383
(3R,8R)-2,9,17,23-tetrazatetracyclo[22.5.0.03,8.010,16]nonacosa-1,10,12,14,16,24,26,28-octaene
CID 177505085

Frequently Asked Questions

What is the IUPAC name of CID 162472670?
The IUPAC name of CID 162472670 (CID 162472670) is not available.
What is the SMILES notation for CID 162472670?
The canonical SMILES for CID 162472670 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 162472670?
The InChIKey is PATJVXCUFORJPQ-CQJMVLFOSA-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-/m0/s1.
What are the key properties of CID 162472670?
CID 162472670 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 162472670 is sourced from PubChem (CID 162472670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).