1-cyclopentyl-6-methyl-2,6-dihydropyridin-3-imine

C11H18N2 — CID 123839937

IUPAC1-cyclopentyl-6-methyl-2,6-dihydropyridin-3-imine
SMILES[H]/N=C1\C=CC(C)N(C2CCCC2)C1
InChIInChI=1S/C11H18N2/c1-9-6-7-10(12)8-13(9)11-4-2-3-5-11/h6-7,9,11-12H,2-5,8H2,1H3/b12-10+
InChIKeyGTFMGUMORUBZIP-ZRDIBKRKSA-N
MW178.28 g/mol
LogP2.21
Rot. Bonds1

About 1-cyclopentyl-6-methyl-2,6-dihydropyridin-3-imine

1-cyclopentyl-6-methyl-2,6-dihydropyridin-3-imine (PubChem CID 123839937) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-cyclopentyl-6-methyl-2,6-dihydropyridin-3-imine.

Molecular Properties

Compound Name1-cyclopentyl-6-methyl-2,6-dihydropyridin-3-imine
PubChem CID123839937
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-cyclopentyl-6-methyl-2,6-dihydropyridin-3-imine
SMILES[H]/N=C1\C=CC(C)N(C2CCCC2)C1
InChIInChI=1S/C11H18N2/c1-9-6-7-10(12)8-13(9)11-4-2-3-5-11/h6-7,9,11-12H,2-5,8H2,1H3/b12-10+
InChIKeyGTFMGUMORUBZIP-ZRDIBKRKSA-N
XLogP2.21
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.21
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 1-cyclopentyl-6-methyl-2,6-dihydropyridin-3-imine?
The IUPAC name of 1-cyclopentyl-6-methyl-2,6-dihydropyridin-3-imine (CID 123839937) is 1-cyclopentyl-6-methyl-2,6-dihydropyridin-3-imine.
What is the SMILES notation for 1-cyclopentyl-6-methyl-2,6-dihydropyridin-3-imine?
The canonical SMILES for 1-cyclopentyl-6-methyl-2,6-dihydropyridin-3-imine is [H]/N=C1\C=CC(C)N(C2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-6-methyl-2,6-dihydropyridin-3-imine?
The InChIKey is GTFMGUMORUBZIP-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H18N2/c1-9-6-7-10(12)8-13(9)11-4-2-3-5-11/h6-7,9,11-12H,2-5,8H2,1H3/b12-10+.
What are the key properties of 1-cyclopentyl-6-methyl-2,6-dihydropyridin-3-imine?
1-cyclopentyl-6-methyl-2,6-dihydropyridin-3-imine has a molecular weight of 178.28 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6-methyl-2,6-dihydropyridin-3-imine is sourced from PubChem (CID 123839937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).