1-(1-methyl-2,3-dihydropyrrol-5-yl)-N-[2-[(1-methyl-2,3-dihydropyrrol-5-yl)methylideneamino]ethyl]methanimine

C14H22N4 — CID 68976138

IUPAC1-(1-methyl-2,3-dihydropyrrol-5-yl)-N-[2-[(1-methyl-2,3-dihydropyrrol-5-yl)methylideneamino]ethyl]methanimine
SMILESCN1CCC=C1/C=N/CC/N=C/C1=CCCN1C
InChIInChI=1S/C14H22N4/c1-17-9-3-5-13(17)11-15-7-8-16-12-14-6-4-10-18(14)2/h5-6,11-12H,3-4,7-10H2,1-2H3/b15-11+,16-12+
InChIKeyPRNIRTBLZYNVON-JOBJLJCHSA-N
MW246.36 g/mol
LogP1.57
Rot. Bonds5

About 1-(1-methyl-2,3-dihydropyrrol-5-yl)-N-[2-[(1-methyl-2,3-dihydropyrrol-5-yl)methylideneamino]ethyl]methanimine

1-(1-methyl-2,3-dihydropyrrol-5-yl)-N-[2-[(1-methyl-2,3-dihydropyrrol-5-yl)methylideneamino]ethyl]methanimine (PubChem CID 68976138) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 1-(1-methyl-2,3-dihydropyrrol-5-yl)-N-[2-[(1-methyl-2,3-dihydropyrrol-5-yl)methylideneamino]ethyl]methanimine.

Molecular Properties

Compound Name1-(1-methyl-2,3-dihydropyrrol-5-yl)-N-[2-[(1-methyl-2,3-dihydropyrrol-5-yl)methylideneamino]ethyl]methanimine
PubChem CID68976138
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name1-(1-methyl-2,3-dihydropyrrol-5-yl)-N-[2-[(1-methyl-2,3-dihydropyrrol-5-yl)methylideneamino]ethyl]methanimine
SMILESCN1CCC=C1/C=N/CC/N=C/C1=CCCN1C
InChIInChI=1S/C14H22N4/c1-17-9-3-5-13(17)11-15-7-8-16-12-14-6-4-10-18(14)2/h5-6,11-12H,3-4,7-10H2,1-2H3/b15-11+,16-12+
InChIKeyPRNIRTBLZYNVON-JOBJLJCHSA-N
XLogP1.57
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2,3-dihydropyrrol-5-yl)-N-[2-[(1-methyl-2,3-dihydropyrrol-5-yl)methylideneamino]ethyl]methanimine?
The IUPAC name of 1-(1-methyl-2,3-dihydropyrrol-5-yl)-N-[2-[(1-methyl-2,3-dihydropyrrol-5-yl)methylideneamino]ethyl]methanimine (CID 68976138) is 1-(1-methyl-2,3-dihydropyrrol-5-yl)-N-[2-[(1-methyl-2,3-dihydropyrrol-5-yl)methylideneamino]ethyl]methanimine.
What is the SMILES notation for 1-(1-methyl-2,3-dihydropyrrol-5-yl)-N-[2-[(1-methyl-2,3-dihydropyrrol-5-yl)methylideneamino]ethyl]methanimine?
The canonical SMILES for 1-(1-methyl-2,3-dihydropyrrol-5-yl)-N-[2-[(1-methyl-2,3-dihydropyrrol-5-yl)methylideneamino]ethyl]methanimine is CN1CCC=C1/C=N/CC/N=C/C1=CCCN1C.
What is the InChIKey of 1-(1-methyl-2,3-dihydropyrrol-5-yl)-N-[2-[(1-methyl-2,3-dihydropyrrol-5-yl)methylideneamino]ethyl]methanimine?
The InChIKey is PRNIRTBLZYNVON-JOBJLJCHSA-N. The full InChI is InChI=1S/C14H22N4/c1-17-9-3-5-13(17)11-15-7-8-16-12-14-6-4-10-18(14)2/h5-6,11-12H,3-4,7-10H2,1-2H3/b15-11+,16-12+.
What are the key properties of 1-(1-methyl-2,3-dihydropyrrol-5-yl)-N-[2-[(1-methyl-2,3-dihydropyrrol-5-yl)methylideneamino]ethyl]methanimine?
1-(1-methyl-2,3-dihydropyrrol-5-yl)-N-[2-[(1-methyl-2,3-dihydropyrrol-5-yl)methylideneamino]ethyl]methanimine has a molecular weight of 246.36 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2,3-dihydropyrrol-5-yl)-N-[2-[(1-methyl-2,3-dihydropyrrol-5-yl)methylideneamino]ethyl]methanimine is sourced from PubChem (CID 68976138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).