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

C16H28N2 — CID 155719592

IUPAC(2E)-2-(2,2-dimethylpropylidene)-N-methyl-4-propan-2-ylpyridin-3-imine;ethane
SMILESC/N=C1\C(C(C)C)=CC=N\C1=C\C(C)(C)C.CC
InChIInChI=1S/C14H22N2.C2H6/c1-10(2)11-7-8-16-12(13(11)15-6)9-14(3,4)5;1-2/h7-10H,1-6H3;1-2H3/b12-9+,15-13+;
InChIKeyDREQCYCXJBILIB-ZZIUBGMCSA-N
MW248.41 g/mol
LogP4.68
Rot. Bonds1

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

(2E)-2-(2,2-dimethylpropylidene)-N-methyl-4-propan-2-ylpyridin-3-imine;ethane (PubChem CID 155719592) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is (2E)-2-(2,2-dimethylpropylidene)-N-methyl-4-propan-2-ylpyridin-3-imine;ethane.

Molecular Properties

Compound Name(2E)-2-(2,2-dimethylpropylidene)-N-methyl-4-propan-2-ylpyridin-3-imine;ethane
PubChem CID155719592
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name(2E)-2-(2,2-dimethylpropylidene)-N-methyl-4-propan-2-ylpyridin-3-imine;ethane
SMILESC/N=C1\C(C(C)C)=CC=N\C1=C\C(C)(C)C.CC
InChIInChI=1S/C14H22N2.C2H6/c1-10(2)11-7-8-16-12(13(11)15-6)9-14(3,4)5;1-2/h7-10H,1-6H3;1-2H3/b12-9+,15-13+;
InChIKeyDREQCYCXJBILIB-ZZIUBGMCSA-N
XLogP4.68
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.68
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-methyl-N-(5-methylcyclopenten-1-yl)propan-1-imine
CID 89211315
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-3-N-(2-methylbutylidene)-2-N-[(E)-pent-1-enyl]pent-3-ene-2,3-diimine
CID 126599381
(5Z)-5,10-dimethyl-2-methylidene-1-azacycloundeca-5,11-diene
CID 130255115
(3E,4E,7Z)-3-methoxyimino-2-methyl-7-(2-methylpropylideneamino)-5-propan-2-ylnona-1,4,7-trien-4-amine
CID 134242040
ethane;(E)-N-[(E)-hex-2-en-2-yl]-3-methylhex-2-en-1-imine;2-methylpentane
CID 141877953
ethane;N-[(Z)-4-methylhept-2-en-3-yl]but-3-en-1-imine
CID 142057665
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;ethane?
The IUPAC name of (2E)-2-(2,2-dimethylpropylidene)-N-methyl-4-propan-2-ylpyridin-3-imine;ethane (CID 155719592) is (2E)-2-(2,2-dimethylpropylidene)-N-methyl-4-propan-2-ylpyridin-3-imine;ethane.
What is the SMILES notation for (2E)-2-(2,2-dimethylpropylidene)-N-methyl-4-propan-2-ylpyridin-3-imine;ethane?
The canonical SMILES for (2E)-2-(2,2-dimethylpropylidene)-N-methyl-4-propan-2-ylpyridin-3-imine;ethane is C/N=C1\C(C(C)C)=CC=N\C1=C\C(C)(C)C.CC.
What is the InChIKey of (2E)-2-(2,2-dimethylpropylidene)-N-methyl-4-propan-2-ylpyridin-3-imine;ethane?
The InChIKey is DREQCYCXJBILIB-ZZIUBGMCSA-N. The full InChI is InChI=1S/C14H22N2.C2H6/c1-10(2)11-7-8-16-12(13(11)15-6)9-14(3,4)5;1-2/h7-10H,1-6H3;1-2H3/b12-9+,15-13+;.
What are the key properties of (2E)-2-(2,2-dimethylpropylidene)-N-methyl-4-propan-2-ylpyridin-3-imine;ethane?
(2E)-2-(2,2-dimethylpropylidene)-N-methyl-4-propan-2-ylpyridin-3-imine;ethane has a molecular weight of 248.41 g/mol, XLogP of 4.68, 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;ethane is sourced from PubChem (CID 155719592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).