4-methyl-1-propan-2-yl-3H-pyrrol-2-imine

C8H14N2 — CID 166684569

IUPAC4-methyl-1-propan-2-yl-3H-pyrrol-2-imine
SMILESCC1=CN(C(=N)C1)C(C)C
InChIInChI=1S/C8H14N2/c1-6(2)10-5-7(3)4-8(10)9/h5-6,9H,4H2,1-3H3
InChIKeyQPWJNZKIVDGDKN-UHFFFAOYSA-N
MW138.21 g/mol
LogP0.60
Rot. Bonds1

About 4-methyl-1-propan-2-yl-3H-pyrrol-2-imine

4-methyl-1-propan-2-yl-3H-pyrrol-2-imine (PubChem CID 166684569) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 4-methyl-1-propan-2-yl-3H-pyrrol-2-imine.

Molecular Properties

Compound Name4-methyl-1-propan-2-yl-3H-pyrrol-2-imine
PubChem CID166684569
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name4-methyl-1-propan-2-yl-3H-pyrrol-2-imine
SMILESCC1=CN(C(=N)C1)C(C)C
InChIInChI=1S/C8H14N2/c1-6(2)10-5-7(3)4-8(10)9/h5-6,9H,4H2,1-3H3
InChIKeyQPWJNZKIVDGDKN-UHFFFAOYSA-N
XLogP0.60
TPSA27.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity180

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 4-methyl-1-propan-2-yl-3H-pyrrol-2-imine?
The IUPAC name of 4-methyl-1-propan-2-yl-3H-pyrrol-2-imine (CID 166684569) is 4-methyl-1-propan-2-yl-3H-pyrrol-2-imine.
What is the SMILES notation for 4-methyl-1-propan-2-yl-3H-pyrrol-2-imine?
The canonical SMILES for 4-methyl-1-propan-2-yl-3H-pyrrol-2-imine is CC1=CN(C(=N)C1)C(C)C.
What is the InChIKey of 4-methyl-1-propan-2-yl-3H-pyrrol-2-imine?
The InChIKey is QPWJNZKIVDGDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-6(2)10-5-7(3)4-8(10)9/h5-6,9H,4H2,1-3H3.
What are the key properties of 4-methyl-1-propan-2-yl-3H-pyrrol-2-imine?
4-methyl-1-propan-2-yl-3H-pyrrol-2-imine has a molecular weight of 138.21 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propan-2-yl-3H-pyrrol-2-imine is sourced from PubChem (CID 166684569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).