N-propan-2-yl-7-[3-[[2-(propan-2-ylamino)cyclohepta-2,4,6-trien-1-ylidene]amino]propylimino]cyclohepta-1,3,5-trien-1-amine

C23H32N4 — CID 12049043

IUPACN-propan-2-yl-7-[3-[[2-(propan-2-ylamino)cyclohepta-2,4,6-trien-1-ylidene]amino]propylimino]cyclohepta-1,3,5-trien-1-amine
SMILESCC(C)Nc1ccccc/c1=N\CCC/N=c1\cccccc1NC(C)C
InChIInChI=1S/C23H32N4/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,(H,24,26)(H,25,27)
InChIKeyZVORECVQDMXEGF-UHFFFAOYSA-N
MW364.54 g/mol
LogP4.22
Rot. Bonds8

About N-propan-2-yl-7-[3-[[2-(propan-2-ylamino)cyclohepta-2,4,6-trien-1-ylidene]amino]propylimino]cyclohepta-1,3,5-trien-1-amine

N-propan-2-yl-7-[3-[[2-(propan-2-ylamino)cyclohepta-2,4,6-trien-1-ylidene]amino]propylimino]cyclohepta-1,3,5-trien-1-amine (PubChem CID 12049043) has the molecular formula C23H32N4 and a molecular weight of 364.54 g/mol. Its IUPAC name is N-propan-2-yl-7-[3-[[2-(propan-2-ylamino)cyclohepta-2,4,6-trien-1-ylidene]amino]propylimino]cyclohepta-1,3,5-trien-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-7-[3-[[2-(propan-2-ylamino)cyclohepta-2,4,6-trien-1-ylidene]amino]propylimino]cyclohepta-1,3,5-trien-1-amine
PubChem CID12049043
Molecular FormulaC23H32N4
Molecular Weight364.54 g/mol
Exact Mass364.26
IUPAC NameN-propan-2-yl-7-[3-[[2-(propan-2-ylamino)cyclohepta-2,4,6-trien-1-ylidene]amino]propylimino]cyclohepta-1,3,5-trien-1-amine
SMILESCC(C)Nc1ccccc/c1=N\CCC/N=c1\cccccc1NC(C)C
InChIInChI=1S/C23H32N4/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,(H,24,26)(H,25,27)
InChIKeyZVORECVQDMXEGF-UHFFFAOYSA-N
XLogP4.22
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-propan-2-yl-7-[3-[[2-(propan-2-ylamino)cyclohepta-2,4,6-trien-1-ylidene]amino]propylimino]cyclohepta-1,3,5-trien-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-7-[3-[[2-(propan-2-ylamino)cyclohepta-2,4,6-trien-1-ylidene]amino]propylimino]cyclohepta-1,3,5-trien-1-amine?
The IUPAC name of N-propan-2-yl-7-[3-[[2-(propan-2-ylamino)cyclohepta-2,4,6-trien-1-ylidene]amino]propylimino]cyclohepta-1,3,5-trien-1-amine (CID 12049043) is N-propan-2-yl-7-[3-[[2-(propan-2-ylamino)cyclohepta-2,4,6-trien-1-ylidene]amino]propylimino]cyclohepta-1,3,5-trien-1-amine.
What is the SMILES notation for N-propan-2-yl-7-[3-[[2-(propan-2-ylamino)cyclohepta-2,4,6-trien-1-ylidene]amino]propylimino]cyclohepta-1,3,5-trien-1-amine?
The canonical SMILES for N-propan-2-yl-7-[3-[[2-(propan-2-ylamino)cyclohepta-2,4,6-trien-1-ylidene]amino]propylimino]cyclohepta-1,3,5-trien-1-amine is CC(C)Nc1ccccc/c1=N\CCC/N=c1\cccccc1NC(C)C.
What is the InChIKey of N-propan-2-yl-7-[3-[[2-(propan-2-ylamino)cyclohepta-2,4,6-trien-1-ylidene]amino]propylimino]cyclohepta-1,3,5-trien-1-amine?
The InChIKey is ZVORECVQDMXEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4/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,(H,24,26)(H,25,27).
What are the key properties of N-propan-2-yl-7-[3-[[2-(propan-2-ylamino)cyclohepta-2,4,6-trien-1-ylidene]amino]propylimino]cyclohepta-1,3,5-trien-1-amine?
N-propan-2-yl-7-[3-[[2-(propan-2-ylamino)cyclohepta-2,4,6-trien-1-ylidene]amino]propylimino]cyclohepta-1,3,5-trien-1-amine has a molecular weight of 364.54 g/mol, XLogP of 4.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-7-[3-[[2-(propan-2-ylamino)cyclohepta-2,4,6-trien-1-ylidene]amino]propylimino]cyclohepta-1,3,5-trien-1-amine is sourced from PubChem (CID 12049043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).