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

C11H20N2 — CID 56605961

IUPAC1-propan-2-yl-N-propyl-2,5-dihydropyridin-6-imine
SMILESCCC/N=C1\CC=CCN1C(C)C
InChIInChI=1S/C11H20N2/c1-4-8-12-11-7-5-6-9-13(11)10(2)3/h5-6,10H,4,7-9H2,1-3H3/b12-11+
InChIKeyPZMIMSSEFUQJSQ-VAWYXSNFSA-N
MW180.29 g/mol
LogP2.47
Rot. Bonds3

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

1-propan-2-yl-N-propyl-2,5-dihydropyridin-6-imine (PubChem CID 56605961) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-propan-2-yl-N-propyl-2,5-dihydropyridin-6-imine.

Molecular Properties

Compound Name1-propan-2-yl-N-propyl-2,5-dihydropyridin-6-imine
PubChem CID56605961
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-propan-2-yl-N-propyl-2,5-dihydropyridin-6-imine
SMILESCCC/N=C1\CC=CCN1C(C)C
InChIInChI=1S/C11H20N2/c1-4-8-12-11-7-5-6-9-13(11)10(2)3/h5-6,10H,4,7-9H2,1-3H3/b12-11+
InChIKeyPZMIMSSEFUQJSQ-VAWYXSNFSA-N
XLogP2.47
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.47
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-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,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
1-methyl-N-propyl-2,5-dihydropyridin-6-imine
CID 56633011

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-propyl-2,5-dihydropyridin-6-imine?
The IUPAC name of 1-propan-2-yl-N-propyl-2,5-dihydropyridin-6-imine (CID 56605961) is 1-propan-2-yl-N-propyl-2,5-dihydropyridin-6-imine.
What is the SMILES notation for 1-propan-2-yl-N-propyl-2,5-dihydropyridin-6-imine?
The canonical SMILES for 1-propan-2-yl-N-propyl-2,5-dihydropyridin-6-imine is CCC/N=C1\CC=CCN1C(C)C.
What is the InChIKey of 1-propan-2-yl-N-propyl-2,5-dihydropyridin-6-imine?
The InChIKey is PZMIMSSEFUQJSQ-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-8-12-11-7-5-6-9-13(11)10(2)3/h5-6,10H,4,7-9H2,1-3H3/b12-11+.
What are the key properties of 1-propan-2-yl-N-propyl-2,5-dihydropyridin-6-imine?
1-propan-2-yl-N-propyl-2,5-dihydropyridin-6-imine has a molecular weight of 180.29 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-propyl-2,5-dihydropyridin-6-imine is sourced from PubChem (CID 56605961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).