1-(1,6-dimethyl-3,6-dihydro-2H-cyclopenta[b]pyrrol-2-yl)-N-methylmethanimine

C11H16N2 — CID 145236907

IUPAC1-(1,6-dimethyl-3,6-dihydro-2H-cyclopenta[b]pyrrol-2-yl)-N-methylmethanimine
SMILESC/N=C/C1CC2=C(C(C)C=C2)N1C
InChIInChI=1S/C11H16N2/c1-8-4-5-9-6-10(7-12-2)13(3)11(8)9/h4-5,7-8,10H,6H2,1-3H3/b12-7+
InChIKeyFXJMEWDCXKJLDL-KPKJPENVSA-N
MW176.26 g/mol
LogP1.85
Rot. Bonds1

About 1-(1,6-dimethyl-3,6-dihydro-2H-cyclopenta[b]pyrrol-2-yl)-N-methylmethanimine

1-(1,6-dimethyl-3,6-dihydro-2H-cyclopenta[b]pyrrol-2-yl)-N-methylmethanimine (PubChem CID 145236907) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-(1,6-dimethyl-3,6-dihydro-2H-cyclopenta[b]pyrrol-2-yl)-N-methylmethanimine.

Molecular Properties

Compound Name1-(1,6-dimethyl-3,6-dihydro-2H-cyclopenta[b]pyrrol-2-yl)-N-methylmethanimine
PubChem CID145236907
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1-(1,6-dimethyl-3,6-dihydro-2H-cyclopenta[b]pyrrol-2-yl)-N-methylmethanimine
SMILESC/N=C/C1CC2=C(C(C)C=C2)N1C
InChIInChI=1S/C11H16N2/c1-8-4-5-9-6-10(7-12-2)13(3)11(8)9/h4-5,7-8,10H,6H2,1-3H3/b12-7+
InChIKeyFXJMEWDCXKJLDL-KPKJPENVSA-N
XLogP1.85
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.85
H-Bond Donors ≤ 50
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 1-(1,6-dimethyl-3,6-dihydro-2H-cyclopenta[b]pyrrol-2-yl)-N-methylmethanimine?
The IUPAC name of 1-(1,6-dimethyl-3,6-dihydro-2H-cyclopenta[b]pyrrol-2-yl)-N-methylmethanimine (CID 145236907) is 1-(1,6-dimethyl-3,6-dihydro-2H-cyclopenta[b]pyrrol-2-yl)-N-methylmethanimine.
What is the SMILES notation for 1-(1,6-dimethyl-3,6-dihydro-2H-cyclopenta[b]pyrrol-2-yl)-N-methylmethanimine?
The canonical SMILES for 1-(1,6-dimethyl-3,6-dihydro-2H-cyclopenta[b]pyrrol-2-yl)-N-methylmethanimine is C/N=C/C1CC2=C(C(C)C=C2)N1C.
What is the InChIKey of 1-(1,6-dimethyl-3,6-dihydro-2H-cyclopenta[b]pyrrol-2-yl)-N-methylmethanimine?
The InChIKey is FXJMEWDCXKJLDL-KPKJPENVSA-N. The full InChI is InChI=1S/C11H16N2/c1-8-4-5-9-6-10(7-12-2)13(3)11(8)9/h4-5,7-8,10H,6H2,1-3H3/b12-7+.
What are the key properties of 1-(1,6-dimethyl-3,6-dihydro-2H-cyclopenta[b]pyrrol-2-yl)-N-methylmethanimine?
1-(1,6-dimethyl-3,6-dihydro-2H-cyclopenta[b]pyrrol-2-yl)-N-methylmethanimine has a molecular weight of 176.26 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,6-dimethyl-3,6-dihydro-2H-cyclopenta[b]pyrrol-2-yl)-N-methylmethanimine is sourced from PubChem (CID 145236907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).