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

C8H14N2 — CID 138726835

IUPACN-methyl-1-propan-2-yl-3H-pyrrol-2-imine
SMILESC/N=C1\CC=CN1C(C)C
InChIInChI=1S/C8H14N2/c1-7(2)10-6-4-5-8(10)9-3/h4,6-7H,5H2,1-3H3/b9-8+
InChIKeyDWMFOAHNKYLMLA-CMDGGOBGSA-N
MW138.21 g/mol
LogP1.64
Rot. Bonds1

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

N-methyl-1-propan-2-yl-3H-pyrrol-2-imine (PubChem CID 138726835) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N-methyl-1-propan-2-yl-3H-pyrrol-2-imine.

Molecular Properties

Compound NameN-methyl-1-propan-2-yl-3H-pyrrol-2-imine
PubChem CID138726835
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN-methyl-1-propan-2-yl-3H-pyrrol-2-imine
SMILESC/N=C1\CC=CN1C(C)C
InChIInChI=1S/C8H14N2/c1-7(2)10-6-4-5-8(10)9-3/h4,6-7H,5H2,1-3H3/b9-8+
InChIKeyDWMFOAHNKYLMLA-CMDGGOBGSA-N
XLogP1.64
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.64
H-Bond Donors ≤ 50
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 N-methyl-1-propan-2-yl-3H-pyrrol-2-imine?
The IUPAC name of N-methyl-1-propan-2-yl-3H-pyrrol-2-imine (CID 138726835) is N-methyl-1-propan-2-yl-3H-pyrrol-2-imine.
What is the SMILES notation for N-methyl-1-propan-2-yl-3H-pyrrol-2-imine?
The canonical SMILES for N-methyl-1-propan-2-yl-3H-pyrrol-2-imine is C/N=C1\CC=CN1C(C)C.
What is the InChIKey of N-methyl-1-propan-2-yl-3H-pyrrol-2-imine?
The InChIKey is DWMFOAHNKYLMLA-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H14N2/c1-7(2)10-6-4-5-8(10)9-3/h4,6-7H,5H2,1-3H3/b9-8+.
What are the key properties of N-methyl-1-propan-2-yl-3H-pyrrol-2-imine?
N-methyl-1-propan-2-yl-3H-pyrrol-2-imine has a molecular weight of 138.21 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propan-2-yl-3H-pyrrol-2-imine is sourced from PubChem (CID 138726835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).