N-tert-butyl-1,5-dimethyl-2,4-dihydropyridin-3-imine

C11H20N2 — CID 57231634

IUPACN-tert-butyl-1,5-dimethyl-2,4-dihydropyridin-3-imine
SMILESCC1=CN(C)C/C(=N/C(C)(C)C)C1
InChIInChI=1S/C11H20N2/c1-9-6-10(8-13(5)7-9)12-11(2,3)4/h7H,6,8H2,1-5H3/b12-10+
InChIKeyFEVVGUISBNKGCT-ZRDIBKRKSA-N
MW180.29 g/mol
LogP2.47
Rot. Bonds

About N-tert-butyl-1,5-dimethyl-2,4-dihydropyridin-3-imine

N-tert-butyl-1,5-dimethyl-2,4-dihydropyridin-3-imine (PubChem CID 57231634) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N-tert-butyl-1,5-dimethyl-2,4-dihydropyridin-3-imine.

Molecular Properties

Compound NameN-tert-butyl-1,5-dimethyl-2,4-dihydropyridin-3-imine
PubChem CID57231634
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN-tert-butyl-1,5-dimethyl-2,4-dihydropyridin-3-imine
SMILESCC1=CN(C)C/C(=N/C(C)(C)C)C1
InChIInChI=1S/C11H20N2/c1-9-6-10(8-13(5)7-9)12-11(2,3)4/h7H,6,8H2,1-5H3/b12-10+
InChIKeyFEVVGUISBNKGCT-ZRDIBKRKSA-N
XLogP2.47
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
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-(Dimethylaminomethylene)cyclohexanone butylimine
CID 129778991
(1,5-Dimethyl-2,4-dihydropyridin-3-ylidene)hydrazine
CID 56612588
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
1,5-dimethyl-N-prop-2-enyl-2,4-dihydropyridin-3-imine
CID 56627199
1,5-Diethyl-2,4-dihydropyridin-3-imine
CID 56635574
1,5-dimethyl-N-(2-methylpropyl)-2,4-dihydropyridin-3-imine
CID 56636914
N,1,5-trimethyl-2,4-dihydropyridin-3-imine
CID 56637640

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1,5-dimethyl-2,4-dihydropyridin-3-imine?
The IUPAC name of N-tert-butyl-1,5-dimethyl-2,4-dihydropyridin-3-imine (CID 57231634) is N-tert-butyl-1,5-dimethyl-2,4-dihydropyridin-3-imine.
What is the SMILES notation for N-tert-butyl-1,5-dimethyl-2,4-dihydropyridin-3-imine?
The canonical SMILES for N-tert-butyl-1,5-dimethyl-2,4-dihydropyridin-3-imine is CC1=CN(C)C/C(=N/C(C)(C)C)C1.
What is the InChIKey of N-tert-butyl-1,5-dimethyl-2,4-dihydropyridin-3-imine?
The InChIKey is FEVVGUISBNKGCT-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H20N2/c1-9-6-10(8-13(5)7-9)12-11(2,3)4/h7H,6,8H2,1-5H3/b12-10+.
What are the key properties of N-tert-butyl-1,5-dimethyl-2,4-dihydropyridin-3-imine?
N-tert-butyl-1,5-dimethyl-2,4-dihydropyridin-3-imine has a molecular weight of 180.29 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1,5-dimethyl-2,4-dihydropyridin-3-imine is sourced from PubChem (CID 57231634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).