2,2,4,4-tetramethyl-N-pyridin-2-ylpentan-3-imine

C14H22N2 — CID 160972528

IUPAC2,2,4,4-tetramethyl-N-pyridin-2-ylpentan-3-imine
SMILESCC(C)(C)C(=Nc1ccccn1)C(C)(C)C
InChIInChI=1S/C14H22N2/c1-13(2,3)12(14(4,5)6)16-11-9-7-8-10-15-11/h7-10H,1-6H3
InChIKeyOGHLYBQESJGXKC-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.25
Rot. Bonds1

About 2,2,4,4-tetramethyl-N-pyridin-2-ylpentan-3-imine

2,2,4,4-tetramethyl-N-pyridin-2-ylpentan-3-imine (PubChem CID 160972528) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-N-pyridin-2-ylpentan-3-imine.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-N-pyridin-2-ylpentan-3-imine
PubChem CID160972528
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2,2,4,4-tetramethyl-N-pyridin-2-ylpentan-3-imine
SMILESCC(C)(C)C(=Nc1ccccn1)C(C)(C)C
InChIInChI=1S/C14H22N2/c1-13(2,3)12(14(4,5)6)16-11-9-7-8-10-15-11/h7-10H,1-6H3
InChIKeyOGHLYBQESJGXKC-UHFFFAOYSA-N
XLogP4.25
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,4,4-tetramethyl-N-pyridin-2-ylpentan-3-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (1E)-N-pyridin-2-ylethanimidate
CID 14952135
CID 173409418
CID 173409418
1,2-diphenyl-N,N'-dipyridin-2-ylethane-1,2-diimine
CID 133053647
dipyridin-2-yldiazene;osmium
CID 173074203
N-pyridin-2-ylbenzenecarboximidoyl chloride;hydrochloride
CID 131712575
N'-pyridin-2-yl-4-(trifluoromethyl)benzenecarboximidamide
CID 175066088
(2E,3Z)-2-(aminomethylidene)-4,4,4-trifluoro-3-pyridin-2-yliminobutanoic acid
CID 169213528
[(E)-C-(2-oxopropoxy)-N-pyridin-2-ylcarbonimidoyl] 2-oxopropyl carbonate
CID 22216165
ethane;2-isocyanatopyridine
CID 91297409
propan-2-yl(pyridin-2-yl)diazene
CID 123501557
trifluoromethylsulfonyl (Z,1Z)-3-amino-2-phenyl-N-pyridin-2-ylbut-2-enimidate
CID 145487173
1-(4-methylphenyl)-2,3-dipyridin-2-ylguanidine
CID 24939669

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-N-pyridin-2-ylpentan-3-imine?
The IUPAC name of 2,2,4,4-tetramethyl-N-pyridin-2-ylpentan-3-imine (CID 160972528) is 2,2,4,4-tetramethyl-N-pyridin-2-ylpentan-3-imine.
What is the SMILES notation for 2,2,4,4-tetramethyl-N-pyridin-2-ylpentan-3-imine?
The canonical SMILES for 2,2,4,4-tetramethyl-N-pyridin-2-ylpentan-3-imine is CC(C)(C)C(=Nc1ccccn1)C(C)(C)C.
What is the InChIKey of 2,2,4,4-tetramethyl-N-pyridin-2-ylpentan-3-imine?
The InChIKey is OGHLYBQESJGXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-13(2,3)12(14(4,5)6)16-11-9-7-8-10-15-11/h7-10H,1-6H3.
What are the key properties of 2,2,4,4-tetramethyl-N-pyridin-2-ylpentan-3-imine?
2,2,4,4-tetramethyl-N-pyridin-2-ylpentan-3-imine has a molecular weight of 218.34 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-N-pyridin-2-ylpentan-3-imine is sourced from PubChem (CID 160972528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).