N-[(E)-[(3Z)-3-ethylidene-4-propan-2-yl-2-pyridinylidene]methyl]methanimine

C12H16N2 — CID 142311467

IUPACN-[(E)-[(3Z)-3-ethylidene-4-propan-2-yl-2-pyridinylidene]methyl]methanimine
SMILESC=N/C=c1/nccc(C(C)C)/c1=C/C
InChIInChI=1S/C12H16N2/c1-5-10-11(9(2)3)6-7-14-12(10)8-13-4/h5-9H,4H2,1-3H3/b10-5-,12-8+
InChIKeyWNMKTXGENQQRDI-MCUJGMCDSA-N
MW188.27 g/mol
LogP1.44
Rot. Bonds2

About N-[(E)-[(3Z)-3-ethylidene-4-propan-2-yl-2-pyridinylidene]methyl]methanimine

N-[(E)-[(3Z)-3-ethylidene-4-propan-2-yl-2-pyridinylidene]methyl]methanimine (PubChem CID 142311467) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N-[(E)-[(3Z)-3-ethylidene-4-propan-2-yl-2-pyridinylidene]methyl]methanimine.

Molecular Properties

Compound NameN-[(E)-[(3Z)-3-ethylidene-4-propan-2-yl-2-pyridinylidene]methyl]methanimine
PubChem CID142311467
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC NameN-[(E)-[(3Z)-3-ethylidene-4-propan-2-yl-2-pyridinylidene]methyl]methanimine
SMILESC=N/C=c1/nccc(C(C)C)/c1=C/C
InChIInChI=1S/C12H16N2/c1-5-10-11(9(2)3)6-7-14-12(10)8-13-4/h5-9H,4H2,1-3H3/b10-5-,12-8+
InChIKeyWNMKTXGENQQRDI-MCUJGMCDSA-N
XLogP1.44
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.44
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

8-Fluoro-4-propan-2-yl-6,7-dihydroquinoline
CID 168883126
N-[(2Z,4E,6E)-7-methyl-4-(2-methylbutyl)nona-2,4,6,8-tetraen-3-yl]prop-2-en-1-imine
CID 88267020
4,7-Dimethyl-6,7-dihydroquinoline
CID 89495207
6-Cyclohexa-1,3-dien-1-yl-3-methyl-3,4-dihydropyridine
CID 91311127
2,3-Di(ethylidene)-4-propan-2-ylpyridine
CID 91324852
(7-butan-2-yl-8H-cyclohepta[b]pyridin-4-yl)methanamine
CID 91524962
(2E)-2-[(3Z)-hexa-3,5-dien-2-ylidene]-3,4-dimethyl-3H-pyridine
CID 117904067
4-propan-2-yl-3-propan-2-ylidene-2H-pyridine
CID 118941640
6-Methyl-4a,5-dihydroquinoline
CID 123352229
N-[1-(4-ethylcyclohexa-1,5-dien-1-yl)buta-1,3-dienyl]prop-2-en-1-imine
CID 123523602
4-Ethyl-6,7-dihydroquinoline
CID 123685681
N-[1-[(5Z)-5-butan-2-ylidene-2H-pyridin-4-yl]ethenyl]ethanimine
CID 123728820

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(3Z)-3-ethylidene-4-propan-2-yl-2-pyridinylidene]methyl]methanimine?
The IUPAC name of N-[(E)-[(3Z)-3-ethylidene-4-propan-2-yl-2-pyridinylidene]methyl]methanimine (CID 142311467) is N-[(E)-[(3Z)-3-ethylidene-4-propan-2-yl-2-pyridinylidene]methyl]methanimine.
What is the SMILES notation for N-[(E)-[(3Z)-3-ethylidene-4-propan-2-yl-2-pyridinylidene]methyl]methanimine?
The canonical SMILES for N-[(E)-[(3Z)-3-ethylidene-4-propan-2-yl-2-pyridinylidene]methyl]methanimine is C=N/C=c1/nccc(C(C)C)/c1=C/C.
What is the InChIKey of N-[(E)-[(3Z)-3-ethylidene-4-propan-2-yl-2-pyridinylidene]methyl]methanimine?
The InChIKey is WNMKTXGENQQRDI-MCUJGMCDSA-N. The full InChI is InChI=1S/C12H16N2/c1-5-10-11(9(2)3)6-7-14-12(10)8-13-4/h5-9H,4H2,1-3H3/b10-5-,12-8+.
What are the key properties of N-[(E)-[(3Z)-3-ethylidene-4-propan-2-yl-2-pyridinylidene]methyl]methanimine?
N-[(E)-[(3Z)-3-ethylidene-4-propan-2-yl-2-pyridinylidene]methyl]methanimine has a molecular weight of 188.27 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(3Z)-3-ethylidene-4-propan-2-yl-2-pyridinylidene]methyl]methanimine is sourced from PubChem (CID 142311467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).