N-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)pentan-2-imine

C13H24N2 — CID 163465018

IUPACN-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)pentan-2-imine
SMILESCCC/C(C)=N/C1=C(CC)CN(C)CC1
InChIInChI=1S/C13H24N2/c1-5-7-11(3)14-13-8-9-15(4)10-12(13)6-2/h5-10H2,1-4H3/b14-11+
InChIKeyBRUWXHRKVVEWGB-SDNWHVSQSA-N
MW208.35 g/mol
LogP3.25
Rot. Bonds4

About N-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)pentan-2-imine

N-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)pentan-2-imine (PubChem CID 163465018) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)pentan-2-imine.

Molecular Properties

Compound NameN-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)pentan-2-imine
PubChem CID163465018
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)pentan-2-imine
SMILESCCC/C(C)=N/C1=C(CC)CN(C)CC1
InChIInChI=1S/C13H24N2/c1-5-7-11(3)14-13-8-9-15(4)10-12(13)6-2/h5-10H2,1-4H3/b14-11+
InChIKeyBRUWXHRKVVEWGB-SDNWHVSQSA-N
XLogP3.25
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Methyl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 58223136
5-Propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 58315252
3-butylimino-1-cyclopropylidene-N,N-diethylbutan-1-amine
CID 123250661
1-Methyl-5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine
CID 131997926
2-Methyl-5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 131997936
6-butan-2-yl-2-methyl-4,5,7,8-tetrahydro-3H-1,6-naphthyridine
CID 142358588
N-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-methylbutan-2-imine
CID 142358629
1,5-Dimethyl-2,3,6,7-tetrahydropyrrolo[3,2-b]pyridine;ethane
CID 145006462
1-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-N-methylpropan-1-imine
CID 145046716
N-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)propan-2-imine
CID 145046783
N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)propan-2-imine
CID 145046784
5-(C,N-dimethylcarbonimidoyl)-1-methyl-3,6-dihydro-2H-pyridin-4-amine;ethane
CID 145577356

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)pentan-2-imine?
The IUPAC name of N-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)pentan-2-imine (CID 163465018) is N-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)pentan-2-imine.
What is the SMILES notation for N-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)pentan-2-imine?
The canonical SMILES for N-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)pentan-2-imine is CCC/C(C)=N/C1=C(CC)CN(C)CC1.
What is the InChIKey of N-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)pentan-2-imine?
The InChIKey is BRUWXHRKVVEWGB-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H24N2/c1-5-7-11(3)14-13-8-9-15(4)10-12(13)6-2/h5-10H2,1-4H3/b14-11+.
What are the key properties of N-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)pentan-2-imine?
N-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)pentan-2-imine has a molecular weight of 208.35 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)pentan-2-imine is sourced from PubChem (CID 163465018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).