N-butyl-1-methyl-2,5-dihydropyridin-6-imine

C10H18N2 — CID 56629172

IUPACN-butyl-1-methyl-2,5-dihydropyridin-6-imine
SMILESCCCC/N=C1\CC=CCN1C
InChIInChI=1S/C10H18N2/c1-3-4-8-11-10-7-5-6-9-12(10)2/h5-6H,3-4,7-9H2,1-2H3/b11-10+
InChIKeyAJRFFSZFKYQCNU-ZHACJKMWSA-N
MW166.27 g/mol
LogP2.08
Rot. Bonds3

About N-butyl-1-methyl-2,5-dihydropyridin-6-imine

N-butyl-1-methyl-2,5-dihydropyridin-6-imine (PubChem CID 56629172) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-butyl-1-methyl-2,5-dihydropyridin-6-imine.

Molecular Properties

Compound NameN-butyl-1-methyl-2,5-dihydropyridin-6-imine
PubChem CID56629172
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-butyl-1-methyl-2,5-dihydropyridin-6-imine
SMILESCCCC/N=C1\CC=CCN1C
InChIInChI=1S/C10H18N2/c1-3-4-8-11-10-7-5-6-9-12(10)2/h5-6H,3-4,7-9H2,1-2H3/b11-10+
InChIKeyAJRFFSZFKYQCNU-ZHACJKMWSA-N
XLogP2.08
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-propan-2-yl-N-propyl-2,5-dihydropyridin-6-imine
CID 56605961
1-cyclohexyl-N-propan-2-yl-2,5-dihydropyridin-6-imine
CID 56607994
N-ethyl-1-methyl-2,5-dihydropyridin-6-imine
CID 56614380
N-methyl-1-propan-2-yl-2,5-dihydropyridin-6-imine
CID 56619013
1-methyl-N-propan-2-yl-2,5-dihydropyridin-6-imine
CID 56620050
N,1-dimethyl-2,5-dihydropyridin-6-imine
CID 56620788
N-butyl-1-propan-2-yl-2,5-dihydropyridin-6-imine
CID 56625185
N,N-diethyl-2,5-dihydropyridin-6-amine
CID 56625538
N-butyl-2,5-dihydropyridin-6-amine
CID 56627724
N,1-di(propan-2-yl)-2,5-dihydropyridin-6-imine
CID 56627937
2-ethyl-N,1-dimethyl-2,5-dihydropyridin-6-imine
CID 56631950
N-ethyl-1-propan-2-yl-2,5-dihydropyridin-6-imine
CID 56632499

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-methyl-2,5-dihydropyridin-6-imine?
The IUPAC name of N-butyl-1-methyl-2,5-dihydropyridin-6-imine (CID 56629172) is N-butyl-1-methyl-2,5-dihydropyridin-6-imine.
What is the SMILES notation for N-butyl-1-methyl-2,5-dihydropyridin-6-imine?
The canonical SMILES for N-butyl-1-methyl-2,5-dihydropyridin-6-imine is CCCC/N=C1\CC=CCN1C.
What is the InChIKey of N-butyl-1-methyl-2,5-dihydropyridin-6-imine?
The InChIKey is AJRFFSZFKYQCNU-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-4-8-11-10-7-5-6-9-12(10)2/h5-6H,3-4,7-9H2,1-2H3/b11-10+.
What are the key properties of N-butyl-1-methyl-2,5-dihydropyridin-6-imine?
N-butyl-1-methyl-2,5-dihydropyridin-6-imine has a molecular weight of 166.27 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-methyl-2,5-dihydropyridin-6-imine is sourced from PubChem (CID 56629172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).