1-(1H-pyrrol-2-yl)-N-[2-(1H-pyrrol-2-ylmethylideneamino)cyclohexyl]methanimine

C16H20N4 — CID 4269899

IUPAC1-(1H-pyrrol-2-yl)-N-[2-(1H-pyrrol-2-ylmethylideneamino)cyclohexyl]methanimine
SMILESC(=N/C1CCCCC1/N=C/c1ccc[nH]1)\c1ccc[nH]1
InChIInChI=1S/C16H20N4/c1-2-8-16(20-12-14-6-4-10-18-14)15(7-1)19-11-13-5-3-9-17-13/h3-6,9-12,15-18H,1-2,7-8H2/b19-11+,20-12+
InChIKeyWTLWSXYTKRRXRH-AYKLPDECSA-N
MW268.36 g/mol
LogP3.19
Rot. Bonds4

About 1-(1H-pyrrol-2-yl)-N-[2-(1H-pyrrol-2-ylmethylideneamino)cyclohexyl]methanimine

1-(1H-pyrrol-2-yl)-N-[2-(1H-pyrrol-2-ylmethylideneamino)cyclohexyl]methanimine (PubChem CID 4269899) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(1H-pyrrol-2-yl)-N-[2-(1H-pyrrol-2-ylmethylideneamino)cyclohexyl]methanimine.

Molecular Properties

Compound Name1-(1H-pyrrol-2-yl)-N-[2-(1H-pyrrol-2-ylmethylideneamino)cyclohexyl]methanimine
PubChem CID4269899
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name1-(1H-pyrrol-2-yl)-N-[2-(1H-pyrrol-2-ylmethylideneamino)cyclohexyl]methanimine
SMILESC(=N/C1CCCCC1/N=C/c1ccc[nH]1)\c1ccc[nH]1
InChIInChI=1S/C16H20N4/c1-2-8-16(20-12-14-6-4-10-18-14)15(7-1)19-11-13-5-3-9-17-13/h3-6,9-12,15-18H,1-2,7-8H2/b19-11+,20-12+
InChIKeyWTLWSXYTKRRXRH-AYKLPDECSA-N
XLogP3.19
TPSA56.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrrol-2-yl)-N-[2-(1H-pyrrol-2-ylmethylideneamino)cyclohexyl]methanimine?
The IUPAC name of 1-(1H-pyrrol-2-yl)-N-[2-(1H-pyrrol-2-ylmethylideneamino)cyclohexyl]methanimine (CID 4269899) is 1-(1H-pyrrol-2-yl)-N-[2-(1H-pyrrol-2-ylmethylideneamino)cyclohexyl]methanimine.
What is the SMILES notation for 1-(1H-pyrrol-2-yl)-N-[2-(1H-pyrrol-2-ylmethylideneamino)cyclohexyl]methanimine?
The canonical SMILES for 1-(1H-pyrrol-2-yl)-N-[2-(1H-pyrrol-2-ylmethylideneamino)cyclohexyl]methanimine is C(=N/C1CCCCC1/N=C/c1ccc[nH]1)\c1ccc[nH]1.
What is the InChIKey of 1-(1H-pyrrol-2-yl)-N-[2-(1H-pyrrol-2-ylmethylideneamino)cyclohexyl]methanimine?
The InChIKey is WTLWSXYTKRRXRH-AYKLPDECSA-N. The full InChI is InChI=1S/C16H20N4/c1-2-8-16(20-12-14-6-4-10-18-14)15(7-1)19-11-13-5-3-9-17-13/h3-6,9-12,15-18H,1-2,7-8H2/b19-11+,20-12+.
What are the key properties of 1-(1H-pyrrol-2-yl)-N-[2-(1H-pyrrol-2-ylmethylideneamino)cyclohexyl]methanimine?
1-(1H-pyrrol-2-yl)-N-[2-(1H-pyrrol-2-ylmethylideneamino)cyclohexyl]methanimine has a molecular weight of 268.36 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrol-2-yl)-N-[2-(1H-pyrrol-2-ylmethylideneamino)cyclohexyl]methanimine is sourced from PubChem (CID 4269899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).