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

C9H16N2 — CID 56619013

IUPACN-methyl-1-propan-2-yl-2,5-dihydropyridin-6-imine
SMILESC/N=C1\CC=CCN1C(C)C
InChIInChI=1S/C9H16N2/c1-8(2)11-7-5-4-6-9(11)10-3/h4-5,8H,6-7H2,1-3H3/b10-9+
InChIKeyQGYHUVRYWBUZHE-MDZDMXLPSA-N
MW152.24 g/mol
LogP1.68
Rot. Bonds1

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

N-methyl-1-propan-2-yl-2,5-dihydropyridin-6-imine (PubChem CID 56619013) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N-methyl-1-propan-2-yl-2,5-dihydropyridin-6-imine.

Molecular Properties

Compound NameN-methyl-1-propan-2-yl-2,5-dihydropyridin-6-imine
PubChem CID56619013
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN-methyl-1-propan-2-yl-2,5-dihydropyridin-6-imine
SMILESC/N=C1\CC=CCN1C(C)C
InChIInChI=1S/C9H16N2/c1-8(2)11-7-5-4-6-9(11)10-3/h4-5,8H,6-7H2,1-3H3/b10-9+
InChIKeyQGYHUVRYWBUZHE-MDZDMXLPSA-N
XLogP1.68
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.68
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
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 N-methyl-1-propan-2-yl-2,5-dihydropyridin-6-imine?
The IUPAC name of N-methyl-1-propan-2-yl-2,5-dihydropyridin-6-imine (CID 56619013) is N-methyl-1-propan-2-yl-2,5-dihydropyridin-6-imine.
What is the SMILES notation for N-methyl-1-propan-2-yl-2,5-dihydropyridin-6-imine?
The canonical SMILES for N-methyl-1-propan-2-yl-2,5-dihydropyridin-6-imine is C/N=C1\CC=CCN1C(C)C.
What is the InChIKey of N-methyl-1-propan-2-yl-2,5-dihydropyridin-6-imine?
The InChIKey is QGYHUVRYWBUZHE-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H16N2/c1-8(2)11-7-5-4-6-9(11)10-3/h4-5,8H,6-7H2,1-3H3/b10-9+.
What are the key properties of N-methyl-1-propan-2-yl-2,5-dihydropyridin-6-imine?
N-methyl-1-propan-2-yl-2,5-dihydropyridin-6-imine has a molecular weight of 152.24 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propan-2-yl-2,5-dihydropyridin-6-imine is sourced from PubChem (CID 56619013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).