N-butyl-1-methyl-2,6-dihydropyridin-3-imine

C10H18N2 — CID 57045078

IUPACN-butyl-1-methyl-2,6-dihydropyridin-3-imine
SMILESCCCC/N=C1\C=CCN(C)C1
InChIInChI=1S/C10H18N2/c1-3-4-7-11-10-6-5-8-12(2)9-10/h5-6H,3-4,7-9H2,1-2H3/b11-10+
InChIKeyLYEFXXVQBASRBN-ZHACJKMWSA-N
MW166.27 g/mol
LogP1.73
Rot. Bonds3

About N-butyl-1-methyl-2,6-dihydropyridin-3-imine

N-butyl-1-methyl-2,6-dihydropyridin-3-imine (PubChem CID 57045078) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-butyl-1-methyl-2,6-dihydropyridin-3-imine.

Molecular Properties

Compound NameN-butyl-1-methyl-2,6-dihydropyridin-3-imine
PubChem CID57045078
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-butyl-1-methyl-2,6-dihydropyridin-3-imine
SMILESCCCC/N=C1\C=CCN(C)C1
InChIInChI=1S/C10H18N2/c1-3-4-7-11-10-6-5-8-12(2)9-10/h5-6H,3-4,7-9H2,1-2H3/b11-10+
InChIKeyLYEFXXVQBASRBN-ZHACJKMWSA-N
XLogP1.73
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N,N',N'-tetramethyl-4-quinonediiminium dication
CID 169616
4-diazo-N,N-dipropylcyclohexa-2,5-dien-1-amine
CID 18779429
N,N-dibutyl-4-diazocyclohexa-2,5-dien-1-amine
CID 21470631
3-(3-ethylimino-2,6-dihydropyridin-1-yl)-N,N-dimethylpropan-1-amine
CID 57171418
N,N-dimethyl-1-(2H-pyrrol-5-yl)methanamine
CID 58270096
(4-Methylidenecyclohexa-2,5-dien-1-ylidene)-dipropylazanium
CID 59057566
(4-Aminocyclohexa-2,5-dien-1-ylidene)-diethylazanium
CID 60040659
Cyclohexa-2,5-dien-1-ylidene(diethyl)azanium
CID 68384674
1-N,4-N-dibutylcyclohexa-2,5-diene-1,4-diimine
CID 71086605
ethyl-[(5Z)-hepta-2,5-dien-4-ylidene]-methylazanium
CID 89961014
6-methyl-1-(6-methyl-2,3-dihydropyridin-5-yl)-2H-pyridine
CID 123200056
1,6-Dimethyl-2,3,4,5-tetrahydro-1,6-benzodiazocine-1,6-diium
CID 123257336

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-methyl-2,6-dihydropyridin-3-imine?
The IUPAC name of N-butyl-1-methyl-2,6-dihydropyridin-3-imine (CID 57045078) is N-butyl-1-methyl-2,6-dihydropyridin-3-imine.
What is the SMILES notation for N-butyl-1-methyl-2,6-dihydropyridin-3-imine?
The canonical SMILES for N-butyl-1-methyl-2,6-dihydropyridin-3-imine is CCCC/N=C1\C=CCN(C)C1.
What is the InChIKey of N-butyl-1-methyl-2,6-dihydropyridin-3-imine?
The InChIKey is LYEFXXVQBASRBN-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-4-7-11-10-6-5-8-12(2)9-10/h5-6H,3-4,7-9H2,1-2H3/b11-10+.
What are the key properties of N-butyl-1-methyl-2,6-dihydropyridin-3-imine?
N-butyl-1-methyl-2,6-dihydropyridin-3-imine has a molecular weight of 166.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-methyl-2,6-dihydropyridin-3-imine is sourced from PubChem (CID 57045078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).