(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)-[3-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanidylpropyl]azanide

C23H30N4-2 — CID 101025444

IUPAC(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)-[3-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanidylpropyl]azanide
SMILESCC(C)/N=c1\cccccc1[N-]CCC[N-]c1ccccc/c1=N\C(C)C
InChIInChI=1S/C23H30N4/c1-18(2)26-22-14-9-5-7-12-20(22)24-16-11-17-25-21-13-8-6-10-15-23(21)27-19(3)4/h5-10,12-15,18-19H,11,16-17H2,1-4H3/q-2
InChIKeyJIIOHGLHRRWXGB-UHFFFAOYSA-N
MW362.52 g/mol
LogP5.41
Rot. Bonds8

About (7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)-[3-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanidylpropyl]azanide

(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)-[3-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanidylpropyl]azanide (PubChem CID 101025444) has the molecular formula C23H30N4-2 and a molecular weight of 362.52 g/mol. Its IUPAC name is (7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)-[3-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanidylpropyl]azanide.

Molecular Properties

Compound Name(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)-[3-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanidylpropyl]azanide
PubChem CID101025444
Molecular FormulaC23H30N4-2
Molecular Weight362.52 g/mol
Exact Mass362.25
IUPAC Name(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)-[3-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanidylpropyl]azanide
SMILESCC(C)/N=c1\cccccc1[N-]CCC[N-]c1ccccc/c1=N\C(C)C
InChIInChI=1S/C23H30N4/c1-18(2)26-22-14-9-5-7-12-20(22)24-16-11-17-25-21-13-8-6-10-15-23(21)27-19(3)4/h5-10,12-15,18-19H,11,16-17H2,1-4H3/q-2
InChIKeyJIIOHGLHRRWXGB-UHFFFAOYSA-N
XLogP5.41
TPSA52.92 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)-[3-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanidylpropyl]azanide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)-[3-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanidylpropyl]azanide?
The IUPAC name of (7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)-[3-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanidylpropyl]azanide (CID 101025444) is (7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)-[3-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanidylpropyl]azanide.
What is the SMILES notation for (7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)-[3-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanidylpropyl]azanide?
The canonical SMILES for (7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)-[3-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanidylpropyl]azanide is CC(C)/N=c1\cccccc1[N-]CCC[N-]c1ccccc/c1=N\C(C)C.
What is the InChIKey of (7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)-[3-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanidylpropyl]azanide?
The InChIKey is JIIOHGLHRRWXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4/c1-18(2)26-22-14-9-5-7-12-20(22)24-16-11-17-25-21-13-8-6-10-15-23(21)27-19(3)4/h5-10,12-15,18-19H,11,16-17H2,1-4H3/q-2.
What are the key properties of (7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)-[3-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanidylpropyl]azanide?
(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)-[3-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanidylpropyl]azanide has a molecular weight of 362.52 g/mol, XLogP of 5.41, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)-[3-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanidylpropyl]azanide is sourced from PubChem (CID 101025444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).