N-butyl-1-propan-2-yl-2,5-dihydropyridin-6-imine

C12H22N2 — CID 56625185

IUPACN-butyl-1-propan-2-yl-2,5-dihydropyridin-6-imine
SMILESCCCC/N=C1\CC=CCN1C(C)C
InChIInChI=1S/C12H22N2/c1-4-5-9-13-12-8-6-7-10-14(12)11(2)3/h6-7,11H,4-5,8-10H2,1-3H3/b13-12+
InChIKeyGANAELBYENGKKO-OUKQBFOZSA-N
MW194.32 g/mol
LogP2.86
Rot. Bonds4

About N-butyl-1-propan-2-yl-2,5-dihydropyridin-6-imine

N-butyl-1-propan-2-yl-2,5-dihydropyridin-6-imine (PubChem CID 56625185) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-butyl-1-propan-2-yl-2,5-dihydropyridin-6-imine.

Molecular Properties

Compound NameN-butyl-1-propan-2-yl-2,5-dihydropyridin-6-imine
PubChem CID56625185
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-butyl-1-propan-2-yl-2,5-dihydropyridin-6-imine
SMILESCCCC/N=C1\CC=CCN1C(C)C
InChIInChI=1S/C12H22N2/c1-4-5-9-13-12-8-6-7-10-14(12)11(2)3/h6-7,11H,4-5,8-10H2,1-3H3/b13-12+
InChIKeyGANAELBYENGKKO-OUKQBFOZSA-N
XLogP2.86
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.86
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,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
N-butyl-1-methyl-2,5-dihydropyridin-6-imine
CID 56629172
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-propan-2-yl-2,5-dihydropyridin-6-imine?
The IUPAC name of N-butyl-1-propan-2-yl-2,5-dihydropyridin-6-imine (CID 56625185) is N-butyl-1-propan-2-yl-2,5-dihydropyridin-6-imine.
What is the SMILES notation for N-butyl-1-propan-2-yl-2,5-dihydropyridin-6-imine?
The canonical SMILES for N-butyl-1-propan-2-yl-2,5-dihydropyridin-6-imine is CCCC/N=C1\CC=CCN1C(C)C.
What is the InChIKey of N-butyl-1-propan-2-yl-2,5-dihydropyridin-6-imine?
The InChIKey is GANAELBYENGKKO-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H22N2/c1-4-5-9-13-12-8-6-7-10-14(12)11(2)3/h6-7,11H,4-5,8-10H2,1-3H3/b13-12+.
What are the key properties of N-butyl-1-propan-2-yl-2,5-dihydropyridin-6-imine?
N-butyl-1-propan-2-yl-2,5-dihydropyridin-6-imine has a molecular weight of 194.32 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-propan-2-yl-2,5-dihydropyridin-6-imine is sourced from PubChem (CID 56625185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).