N-(1-cyclopropyl-2-methylprop-1-enyl)-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine

C13H20N2 — CID 143338479

IUPACN-(1-cyclopropyl-2-methylprop-1-enyl)-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine
SMILESCC(C)=C(/N=C/C1=C(C)CNC1)C1CC1
InChIInChI=1S/C13H20N2/c1-9(2)13(11-4-5-11)15-8-12-7-14-6-10(12)3/h8,11,14H,4-7H2,1-3H3/b15-8+
InChIKeyIRWFFCOMLDBZBE-OVCLIPMQSA-N
MW204.32 g/mol
LogP2.68
Rot. Bonds3

About N-(1-cyclopropyl-2-methylprop-1-enyl)-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine

N-(1-cyclopropyl-2-methylprop-1-enyl)-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine (PubChem CID 143338479) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-(1-cyclopropyl-2-methylprop-1-enyl)-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine.

Molecular Properties

Compound NameN-(1-cyclopropyl-2-methylprop-1-enyl)-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine
PubChem CID143338479
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-(1-cyclopropyl-2-methylprop-1-enyl)-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine
SMILESCC(C)=C(/N=C/C1=C(C)CNC1)C1CC1
InChIInChI=1S/C13H20N2/c1-9(2)13(11-4-5-11)15-8-12-7-14-6-10(12)3/h8,11,14H,4-7H2,1-3H3/b15-8+
InChIKeyIRWFFCOMLDBZBE-OVCLIPMQSA-N
XLogP2.68
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(1-cyclopropyl-2-methylprop-1-enyl)-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine?
The IUPAC name of N-(1-cyclopropyl-2-methylprop-1-enyl)-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine (CID 143338479) is N-(1-cyclopropyl-2-methylprop-1-enyl)-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine.
What is the SMILES notation for N-(1-cyclopropyl-2-methylprop-1-enyl)-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine?
The canonical SMILES for N-(1-cyclopropyl-2-methylprop-1-enyl)-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine is CC(C)=C(/N=C/C1=C(C)CNC1)C1CC1.
What is the InChIKey of N-(1-cyclopropyl-2-methylprop-1-enyl)-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine?
The InChIKey is IRWFFCOMLDBZBE-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H20N2/c1-9(2)13(11-4-5-11)15-8-12-7-14-6-10(12)3/h8,11,14H,4-7H2,1-3H3/b15-8+.
What are the key properties of N-(1-cyclopropyl-2-methylprop-1-enyl)-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine?
N-(1-cyclopropyl-2-methylprop-1-enyl)-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine has a molecular weight of 204.32 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-2-methylprop-1-enyl)-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine is sourced from PubChem (CID 143338479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).