1-(6-methyl-3,4-dihydropyridin-3-yl)pentan-3-imine

C11H18N2 — CID 166963393

IUPAC1-(6-methyl-3,4-dihydropyridin-3-yl)pentan-3-imine
SMILES[H]/N=C(\CC)CCC1C=NC(C)=CC1
InChIInChI=1S/C11H18N2/c1-3-11(12)7-6-10-5-4-9(2)13-8-10/h4,8,10,12H,3,5-7H2,1-2H3/b12-11+
InChIKeyRECCEGUBHVIVNM-VAWYXSNFSA-N
MW178.28 g/mol
LogP3.19
Rot. Bonds4

About 1-(6-methyl-3,4-dihydropyridin-3-yl)pentan-3-imine

1-(6-methyl-3,4-dihydropyridin-3-yl)pentan-3-imine (PubChem CID 166963393) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-(6-methyl-3,4-dihydropyridin-3-yl)pentan-3-imine.

Molecular Properties

Compound Name1-(6-methyl-3,4-dihydropyridin-3-yl)pentan-3-imine
PubChem CID166963393
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-(6-methyl-3,4-dihydropyridin-3-yl)pentan-3-imine
SMILES[H]/N=C(\CC)CCC1C=NC(C)=CC1
InChIInChI=1S/C11H18N2/c1-3-11(12)7-6-10-5-4-9(2)13-8-10/h4,8,10,12H,3,5-7H2,1-2H3/b12-11+
InChIKeyRECCEGUBHVIVNM-VAWYXSNFSA-N
XLogP3.19
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.19
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-(6-methyl-3,4-dihydropyridin-3-yl)pentan-3-imine?
The IUPAC name of 1-(6-methyl-3,4-dihydropyridin-3-yl)pentan-3-imine (CID 166963393) is 1-(6-methyl-3,4-dihydropyridin-3-yl)pentan-3-imine.
What is the SMILES notation for 1-(6-methyl-3,4-dihydropyridin-3-yl)pentan-3-imine?
The canonical SMILES for 1-(6-methyl-3,4-dihydropyridin-3-yl)pentan-3-imine is [H]/N=C(\CC)CCC1C=NC(C)=CC1.
What is the InChIKey of 1-(6-methyl-3,4-dihydropyridin-3-yl)pentan-3-imine?
The InChIKey is RECCEGUBHVIVNM-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H18N2/c1-3-11(12)7-6-10-5-4-9(2)13-8-10/h4,8,10,12H,3,5-7H2,1-2H3/b12-11+.
What are the key properties of 1-(6-methyl-3,4-dihydropyridin-3-yl)pentan-3-imine?
1-(6-methyl-3,4-dihydropyridin-3-yl)pentan-3-imine has a molecular weight of 178.28 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-3,4-dihydropyridin-3-yl)pentan-3-imine is sourced from PubChem (CID 166963393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).