N-[2-ethenyl-1,5-di(propan-2-yl)-2,3-dihydropyrrol-3-yl]methanimine

C13H22N2 — CID 142505487

IUPACN-[2-ethenyl-1,5-di(propan-2-yl)-2,3-dihydropyrrol-3-yl]methanimine
SMILESC=CC1C(N=C)C=C(C(C)C)N1C(C)C
InChIInChI=1S/C13H22N2/c1-7-12-11(14-6)8-13(9(2)3)15(12)10(4)5/h7-12H,1,6H2,2-5H3
InChIKeyLDJRBTSXIMUHGU-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.87
Rot. Bonds4

About N-[2-ethenyl-1,5-di(propan-2-yl)-2,3-dihydropyrrol-3-yl]methanimine

N-[2-ethenyl-1,5-di(propan-2-yl)-2,3-dihydropyrrol-3-yl]methanimine (PubChem CID 142505487) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-[2-ethenyl-1,5-di(propan-2-yl)-2,3-dihydropyrrol-3-yl]methanimine.

Molecular Properties

Compound NameN-[2-ethenyl-1,5-di(propan-2-yl)-2,3-dihydropyrrol-3-yl]methanimine
PubChem CID142505487
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-[2-ethenyl-1,5-di(propan-2-yl)-2,3-dihydropyrrol-3-yl]methanimine
SMILESC=CC1C(N=C)C=C(C(C)C)N1C(C)C
InChIInChI=1S/C13H22N2/c1-7-12-11(14-6)8-13(9(2)3)15(12)10(4)5/h7-12H,1,6H2,2-5H3
InChIKeyLDJRBTSXIMUHGU-UHFFFAOYSA-N
XLogP2.87
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-ethenyl-1,5-di(propan-2-yl)-2,3-dihydropyrrol-3-yl]methanimine?
The IUPAC name of N-[2-ethenyl-1,5-di(propan-2-yl)-2,3-dihydropyrrol-3-yl]methanimine (CID 142505487) is N-[2-ethenyl-1,5-di(propan-2-yl)-2,3-dihydropyrrol-3-yl]methanimine.
What is the SMILES notation for N-[2-ethenyl-1,5-di(propan-2-yl)-2,3-dihydropyrrol-3-yl]methanimine?
The canonical SMILES for N-[2-ethenyl-1,5-di(propan-2-yl)-2,3-dihydropyrrol-3-yl]methanimine is C=CC1C(N=C)C=C(C(C)C)N1C(C)C.
What is the InChIKey of N-[2-ethenyl-1,5-di(propan-2-yl)-2,3-dihydropyrrol-3-yl]methanimine?
The InChIKey is LDJRBTSXIMUHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-7-12-11(14-6)8-13(9(2)3)15(12)10(4)5/h7-12H,1,6H2,2-5H3.
What are the key properties of N-[2-ethenyl-1,5-di(propan-2-yl)-2,3-dihydropyrrol-3-yl]methanimine?
N-[2-ethenyl-1,5-di(propan-2-yl)-2,3-dihydropyrrol-3-yl]methanimine has a molecular weight of 206.33 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethenyl-1,5-di(propan-2-yl)-2,3-dihydropyrrol-3-yl]methanimine is sourced from PubChem (CID 142505487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).