(5Z)-2-tert-butyl-5-ethylidenepyridin-4-imine;ethane

C13H22N2 — CID 153372125

IUPAC(5Z)-2-tert-butyl-5-ethylidenepyridin-4-imine;ethane
SMILESCC.[H]/N=C1\C=C(C(C)(C)C)N=C\C1=C\C
InChIInChI=1S/C11H16N2.C2H6/c1-5-8-7-13-10(6-9(8)12)11(2,3)4;1-2/h5-7,12H,1-4H3;1-2H3/b8-5-,12-9+;
InChIKeyBXPBPJOBCRPLPH-YETQIWDLSA-N
MW206.33 g/mol
LogP3.99
Rot. Bonds

About (5Z)-2-tert-butyl-5-ethylidenepyridin-4-imine;ethane

(5Z)-2-tert-butyl-5-ethylidenepyridin-4-imine;ethane (PubChem CID 153372125) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is (5Z)-2-tert-butyl-5-ethylidenepyridin-4-imine;ethane.

Molecular Properties

Compound Name(5Z)-2-tert-butyl-5-ethylidenepyridin-4-imine;ethane
PubChem CID153372125
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name(5Z)-2-tert-butyl-5-ethylidenepyridin-4-imine;ethane
SMILESCC.[H]/N=C1\C=C(C(C)(C)C)N=C\C1=C\C
InChIInChI=1S/C11H16N2.C2H6/c1-5-8-7-13-10(6-9(8)12)11(2,3)4;1-2/h5-7,12H,1-4H3;1-2H3/b8-5-,12-9+;
InChIKeyBXPBPJOBCRPLPH-YETQIWDLSA-N
XLogP3.99
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-5-methylidene-4H-pyridine
CID 58468592
(3Z)-3-ethylidene-N-methylpyridin-4-imine
CID 68179744
(E)-N-[(Z)-1-(4-methyl-2,3-dihydropyridin-6-yl)prop-1-enyl]but-2-en-1-imine
CID 71158073
(3Z)-3-[1-(ethylideneamino)ethylidene]pyridin-4-imine
CID 89712822
(6Z)-6-[1-(ethylideneamino)ethylidene]cyclohexa-2,4-dien-1-imine
CID 89712823
1-(5-methyl-3,4-dihydropyridin-6-yl)-N-prop-1-en-2-ylmethanimine
CID 89748394
1-(3,4-Dihydropyridin-6-yl)ethanimine
CID 90783991
3,3-dimethyl-5-N-(2-methylpropylidene)hex-4-ene-1,5-diimine
CID 90786085
(Z)-2-ethyl-N-[(E)-hex-2-en-2-yl]but-2-en-1-imine
CID 122651509
2-[(2Z,6Z)-7-ethyl-4,5-dihydroazocin-2-yl]ethanimine
CID 123178485
(E)-3-N-butan-2-ylidene-1-N-ethylpent-2-ene-1,3-diimine
CID 123210191
(Z)-1-N-ethyl-2-N-methyl-6-methylidenehept-3-ene-1,2,7-triimine
CID 123329124

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-tert-butyl-5-ethylidenepyridin-4-imine;ethane?
The IUPAC name of (5Z)-2-tert-butyl-5-ethylidenepyridin-4-imine;ethane (CID 153372125) is (5Z)-2-tert-butyl-5-ethylidenepyridin-4-imine;ethane.
What is the SMILES notation for (5Z)-2-tert-butyl-5-ethylidenepyridin-4-imine;ethane?
The canonical SMILES for (5Z)-2-tert-butyl-5-ethylidenepyridin-4-imine;ethane is CC.[H]/N=C1\C=C(C(C)(C)C)N=C\C1=C\C.
What is the InChIKey of (5Z)-2-tert-butyl-5-ethylidenepyridin-4-imine;ethane?
The InChIKey is BXPBPJOBCRPLPH-YETQIWDLSA-N. The full InChI is InChI=1S/C11H16N2.C2H6/c1-5-8-7-13-10(6-9(8)12)11(2,3)4;1-2/h5-7,12H,1-4H3;1-2H3/b8-5-,12-9+;.
What are the key properties of (5Z)-2-tert-butyl-5-ethylidenepyridin-4-imine;ethane?
(5Z)-2-tert-butyl-5-ethylidenepyridin-4-imine;ethane has a molecular weight of 206.33 g/mol, XLogP of 3.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-tert-butyl-5-ethylidenepyridin-4-imine;ethane is sourced from PubChem (CID 153372125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).