N,1-di(propan-2-yl)-2,5-dihydropyridin-6-imine

C11H20N2 — CID 56627937

IUPACN,1-di(propan-2-yl)-2,5-dihydropyridin-6-imine
SMILESCC(C)/N=C1\CC=CCN1C(C)C
InChIInChI=1S/C11H20N2/c1-9(2)12-11-7-5-6-8-13(11)10(3)4/h5-6,9-10H,7-8H2,1-4H3/b12-11+
InChIKeyGWWHEHMGKLMNAR-VAWYXSNFSA-N
MW180.29 g/mol
LogP2.46
Rot. Bonds2

About N,1-di(propan-2-yl)-2,5-dihydropyridin-6-imine

N,1-di(propan-2-yl)-2,5-dihydropyridin-6-imine (PubChem CID 56627937) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N,1-di(propan-2-yl)-2,5-dihydropyridin-6-imine.

Molecular Properties

Compound NameN,1-di(propan-2-yl)-2,5-dihydropyridin-6-imine
PubChem CID56627937
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN,1-di(propan-2-yl)-2,5-dihydropyridin-6-imine
SMILESCC(C)/N=C1\CC=CCN1C(C)C
InChIInChI=1S/C11H20N2/c1-9(2)12-11-7-5-6-8-13(11)10(3)4/h5-6,9-10H,7-8H2,1-4H3/b12-11+
InChIKeyGWWHEHMGKLMNAR-VAWYXSNFSA-N
XLogP2.46
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-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
1-methyl-N-propyl-2,5-dihydropyridin-6-imine
CID 56633011

Frequently Asked Questions

What is the IUPAC name of N,1-di(propan-2-yl)-2,5-dihydropyridin-6-imine?
The IUPAC name of N,1-di(propan-2-yl)-2,5-dihydropyridin-6-imine (CID 56627937) is N,1-di(propan-2-yl)-2,5-dihydropyridin-6-imine.
What is the SMILES notation for N,1-di(propan-2-yl)-2,5-dihydropyridin-6-imine?
The canonical SMILES for N,1-di(propan-2-yl)-2,5-dihydropyridin-6-imine is CC(C)/N=C1\CC=CCN1C(C)C.
What is the InChIKey of N,1-di(propan-2-yl)-2,5-dihydropyridin-6-imine?
The InChIKey is GWWHEHMGKLMNAR-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H20N2/c1-9(2)12-11-7-5-6-8-13(11)10(3)4/h5-6,9-10H,7-8H2,1-4H3/b12-11+.
What are the key properties of N,1-di(propan-2-yl)-2,5-dihydropyridin-6-imine?
N,1-di(propan-2-yl)-2,5-dihydropyridin-6-imine has a molecular weight of 180.29 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-di(propan-2-yl)-2,5-dihydropyridin-6-imine is sourced from PubChem (CID 56627937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).