(2E)-2-(2,2-dimethylpropylidene)-N-methyl-4-propan-2-ylpyridin-3-imine

C14H22N2 — CID 155719593

IUPAC(2E)-2-(2,2-dimethylpropylidene)-N-methyl-4-propan-2-ylpyridin-3-imine
SMILESC/N=C1\C(C(C)C)=CC=N\C1=C\C(C)(C)C
InChIInChI=1S/C14H22N2/c1-10(2)11-7-8-16-12(13(11)15-6)9-14(3,4)5/h7-10H,1-6H3/b12-9+,15-13+
InChIKeyAEWBOOOOHNNGAL-QQFPHPJOSA-N
MW218.34 g/mol
LogP3.65
Rot. Bonds1

About (2E)-2-(2,2-dimethylpropylidene)-N-methyl-4-propan-2-ylpyridin-3-imine

(2E)-2-(2,2-dimethylpropylidene)-N-methyl-4-propan-2-ylpyridin-3-imine (PubChem CID 155719593) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is (2E)-2-(2,2-dimethylpropylidene)-N-methyl-4-propan-2-ylpyridin-3-imine.

Molecular Properties

Compound Name(2E)-2-(2,2-dimethylpropylidene)-N-methyl-4-propan-2-ylpyridin-3-imine
PubChem CID155719593
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name(2E)-2-(2,2-dimethylpropylidene)-N-methyl-4-propan-2-ylpyridin-3-imine
SMILESC/N=C1\C(C(C)C)=CC=N\C1=C\C(C)(C)C
InChIInChI=1S/C14H22N2/c1-10(2)11-7-8-16-12(13(11)15-6)9-14(3,4)5/h7-10H,1-6H3/b12-9+,15-13+
InChIKeyAEWBOOOOHNNGAL-QQFPHPJOSA-N
XLogP3.65
TPSA24.72 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 ≤ 53.65
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-(3,3-dimethylbutyl)-3H-pyrrole
CID 58543330
2-methyl-N-(5-methylcyclopenten-1-yl)propan-1-imine
CID 89211315
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CID 90735924
3,5,7-Trimethyl-5-(3-methylbutyl)-1,4-diazepine
CID 91042445
N-(6-butan-2-yl-2,3-dihydropyridin-5-yl)propan-1-imine
CID 91176798
10-Methyl-2,3,7,8,9,10-hexahydropyrido[3,2-b]azocine
CID 91242003
2,3-Di(ethylidene)-4-propan-2-ylpyridine
CID 91324852
N-methyl-1-(3-methyl-3,4-dihydropyridin-6-yl)pent-2-en-1-imine
CID 123534726
6-(3-Methyl-2,3,4,5-tetrahydropyridin-6-yl)-3,4-dihydropyridine
CID 123650245
4-methyl-2-methylidene-N-[(Z)-4-methylpent-2-en-3-yl]pentan-1-imine
CID 126658967
(5Z)-5,10-dimethyl-2-methylidene-1-azacycloundeca-5,11-diene
CID 130255115
6-(3-Methylbutyl)-3,4-dihydropyridine
CID 142079078

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(2,2-dimethylpropylidene)-N-methyl-4-propan-2-ylpyridin-3-imine?
The IUPAC name of (2E)-2-(2,2-dimethylpropylidene)-N-methyl-4-propan-2-ylpyridin-3-imine (CID 155719593) is (2E)-2-(2,2-dimethylpropylidene)-N-methyl-4-propan-2-ylpyridin-3-imine.
What is the SMILES notation for (2E)-2-(2,2-dimethylpropylidene)-N-methyl-4-propan-2-ylpyridin-3-imine?
The canonical SMILES for (2E)-2-(2,2-dimethylpropylidene)-N-methyl-4-propan-2-ylpyridin-3-imine is C/N=C1\C(C(C)C)=CC=N\C1=C\C(C)(C)C.
What is the InChIKey of (2E)-2-(2,2-dimethylpropylidene)-N-methyl-4-propan-2-ylpyridin-3-imine?
The InChIKey is AEWBOOOOHNNGAL-QQFPHPJOSA-N. The full InChI is InChI=1S/C14H22N2/c1-10(2)11-7-8-16-12(13(11)15-6)9-14(3,4)5/h7-10H,1-6H3/b12-9+,15-13+.
What are the key properties of (2E)-2-(2,2-dimethylpropylidene)-N-methyl-4-propan-2-ylpyridin-3-imine?
(2E)-2-(2,2-dimethylpropylidene)-N-methyl-4-propan-2-ylpyridin-3-imine has a molecular weight of 218.34 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(2,2-dimethylpropylidene)-N-methyl-4-propan-2-ylpyridin-3-imine is sourced from PubChem (CID 155719593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).