2-N,5-N-di(propan-2-yl)pyrrole-2,5-diimine

C10H17N3 — CID 154502297

IUPAC2-N,5-N-di(propan-2-yl)pyrrole-2,5-diimine
SMILESCC(C)/N=C1\C=C/C(=N\C(C)C)N1
InChIInChI=1S/C10H17N3/c1-7(2)11-9-5-6-10(13-9)12-8(3)4/h5-8H,1-4H3,(H,11,12,13)
InChIKeyMRAZZXWFUKOPHH-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.76
Rot. Bonds2

About 2-N,5-N-di(propan-2-yl)pyrrole-2,5-diimine

2-N,5-N-di(propan-2-yl)pyrrole-2,5-diimine (PubChem CID 154502297) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-N,5-N-di(propan-2-yl)pyrrole-2,5-diimine.

Molecular Properties

Compound Name2-N,5-N-di(propan-2-yl)pyrrole-2,5-diimine
PubChem CID154502297
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-N,5-N-di(propan-2-yl)pyrrole-2,5-diimine
SMILESCC(C)/N=C1\C=C/C(=N\C(C)C)N1
InChIInChI=1S/C10H17N3/c1-7(2)11-9-5-6-10(13-9)12-8(3)4/h5-8H,1-4H3,(H,11,12,13)
InChIKeyMRAZZXWFUKOPHH-UHFFFAOYSA-N
XLogP1.76
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1E)-N,N'-Di(propan-2-yl)prop-2-enimidamide
CID 330685
(E)-N,N'-di(propan-2-yl)but-2-enimidamide
CID 21721177
2-ethenyl-5-methyl-4,5-dihydro-1H-imidazole
CID 20244290
N-propan-2-yl-N'-propylprop-2-enimidamide
CID 20344304
N'-methyl-N-propan-2-ylprop-2-enimidamide
CID 21720545
N-propan-2-yl-2H-pyrrol-5-amine
CID 89879696
N-tert-butyl-2H-pyrrol-5-amine
CID 90244534
N'-methyl-N-propylbut-2-enimidamide
CID 124019163
(E)-N'-ethyl-N-prop-1-en-2-ylbut-2-enimidamide
CID 124182032
3-methyl-N-propan-2-yl-N'-propylbut-2-enimidamide
CID 130433854
(Z)-3-amino-N-propan-2-yl-N'-propylprop-2-enimidamide
CID 137400412
ethane;N'-methyl-N-pentan-3-ylprop-2-enimidamide
CID 143846720

Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-di(propan-2-yl)pyrrole-2,5-diimine?
The IUPAC name of 2-N,5-N-di(propan-2-yl)pyrrole-2,5-diimine (CID 154502297) is 2-N,5-N-di(propan-2-yl)pyrrole-2,5-diimine.
What is the SMILES notation for 2-N,5-N-di(propan-2-yl)pyrrole-2,5-diimine?
The canonical SMILES for 2-N,5-N-di(propan-2-yl)pyrrole-2,5-diimine is CC(C)/N=C1\C=C/C(=N\C(C)C)N1.
What is the InChIKey of 2-N,5-N-di(propan-2-yl)pyrrole-2,5-diimine?
The InChIKey is MRAZZXWFUKOPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-7(2)11-9-5-6-10(13-9)12-8(3)4/h5-8H,1-4H3,(H,11,12,13).
What are the key properties of 2-N,5-N-di(propan-2-yl)pyrrole-2,5-diimine?
2-N,5-N-di(propan-2-yl)pyrrole-2,5-diimine has a molecular weight of 179.27 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-di(propan-2-yl)pyrrole-2,5-diimine is sourced from PubChem (CID 154502297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).