1-ethyl-5-methyl-N-propan-2-yl-2,4-dihydropyridin-3-imine

C11H20N2 — CID 57168100

IUPAC1-ethyl-5-methyl-N-propan-2-yl-2,4-dihydropyridin-3-imine
SMILESCCN1C=C(C)C/C(=N\C(C)C)C1
InChIInChI=1S/C11H20N2/c1-5-13-7-10(4)6-11(8-13)12-9(2)3/h7,9H,5-6,8H2,1-4H3/b12-11+
InChIKeyIXMHEUQYKYHTKK-VAWYXSNFSA-N
MW180.29 g/mol
LogP2.47
Rot. Bonds2

About 1-ethyl-5-methyl-N-propan-2-yl-2,4-dihydropyridin-3-imine

1-ethyl-5-methyl-N-propan-2-yl-2,4-dihydropyridin-3-imine (PubChem CID 57168100) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-ethyl-5-methyl-N-propan-2-yl-2,4-dihydropyridin-3-imine.

Molecular Properties

Compound Name1-ethyl-5-methyl-N-propan-2-yl-2,4-dihydropyridin-3-imine
PubChem CID57168100
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-ethyl-5-methyl-N-propan-2-yl-2,4-dihydropyridin-3-imine
SMILESCCN1C=C(C)C/C(=N\C(C)C)C1
InChIInChI=1S/C11H20N2/c1-5-13-7-10(4)6-11(8-13)12-9(2)3/h7,9H,5-6,8H2,1-4H3/b12-11+
InChIKeyIXMHEUQYKYHTKK-VAWYXSNFSA-N
XLogP2.47
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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 ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,4-Trimethyl-6-propylpyrazine
CID 123522565
2-(Dimethylaminomethylene)cyclohexanone butylimine
CID 129778991
N-ethyl-1,5-dimethyl-2,4-dihydropyridin-3-imine
CID 56613844
1,5-dimethyl-N-propan-2-yl-2,4-dihydropyridin-3-imine
CID 56614183
5-Methyl-1-(2-methylpropyl)-2,4-dihydropyridin-3-imine
CID 56616930
1,5-diethyl-N-methyl-2,4-dihydropyridin-3-imine
CID 56617025
1,5-Dimethyl-2,4-dihydropyridin-3-imine
CID 56618651
2-[(1,5-dimethyl-2,4-dihydropyridin-3-ylidene)amino]-N,N-dimethylethanamine
CID 56621105
2-Butyl-1,5-dimethyl-2,4-dihydropyridin-3-imine
CID 56626073
1,5-dimethyl-N-prop-2-enyl-2,4-dihydropyridin-3-imine
CID 56627199
N,N-diethyl-3-(3-imino-1,5-dimethyl-2,4-dihydropyridin-2-yl)propan-1-amine
CID 56633612
1,5-Diethyl-2,4-dihydropyridin-3-imine
CID 56635574

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methyl-N-propan-2-yl-2,4-dihydropyridin-3-imine?
The IUPAC name of 1-ethyl-5-methyl-N-propan-2-yl-2,4-dihydropyridin-3-imine (CID 57168100) is 1-ethyl-5-methyl-N-propan-2-yl-2,4-dihydropyridin-3-imine.
What is the SMILES notation for 1-ethyl-5-methyl-N-propan-2-yl-2,4-dihydropyridin-3-imine?
The canonical SMILES for 1-ethyl-5-methyl-N-propan-2-yl-2,4-dihydropyridin-3-imine is CCN1C=C(C)C/C(=N\C(C)C)C1.
What is the InChIKey of 1-ethyl-5-methyl-N-propan-2-yl-2,4-dihydropyridin-3-imine?
The InChIKey is IXMHEUQYKYHTKK-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H20N2/c1-5-13-7-10(4)6-11(8-13)12-9(2)3/h7,9H,5-6,8H2,1-4H3/b12-11+.
What are the key properties of 1-ethyl-5-methyl-N-propan-2-yl-2,4-dihydropyridin-3-imine?
1-ethyl-5-methyl-N-propan-2-yl-2,4-dihydropyridin-3-imine has a molecular weight of 180.29 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methyl-N-propan-2-yl-2,4-dihydropyridin-3-imine is sourced from PubChem (CID 57168100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).