(4E)-4-[(Z)-but-2-enylidene]-N-tert-butyl-5-methylidenepyridin-3-amine

C14H20N2 — CID 143181453

IUPAC(4E)-4-[(Z)-but-2-enylidene]-N-tert-butyl-5-methylidenepyridin-3-amine
SMILESC=c1cncc(NC(C)(C)C)/c1=C/C=C\C
InChIInChI=1S/C14H20N2/c1-6-7-8-12-11(2)9-15-10-13(12)16-14(3,4)5/h6-10,16H,2H2,1,3-5H3/b7-6-,12-8+
InChIKeyKARXBINKTLTDCR-UGLNBITBSA-N
MW216.33 g/mol
LogP2.06
Rot. Bonds2

About (4E)-4-[(Z)-but-2-enylidene]-N-tert-butyl-5-methylidenepyridin-3-amine

(4E)-4-[(Z)-but-2-enylidene]-N-tert-butyl-5-methylidenepyridin-3-amine (PubChem CID 143181453) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is (4E)-4-[(Z)-but-2-enylidene]-N-tert-butyl-5-methylidenepyridin-3-amine.

Molecular Properties

Compound Name(4E)-4-[(Z)-but-2-enylidene]-N-tert-butyl-5-methylidenepyridin-3-amine
PubChem CID143181453
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name(4E)-4-[(Z)-but-2-enylidene]-N-tert-butyl-5-methylidenepyridin-3-amine
SMILESC=c1cncc(NC(C)(C)C)/c1=C/C=C\C
InChIInChI=1S/C14H20N2/c1-6-7-8-12-11(2)9-15-10-13(12)16-14(3,4)5/h6-10,16H,2H2,1,3-5H3/b7-6-,12-8+
InChIKeyKARXBINKTLTDCR-UGLNBITBSA-N
XLogP2.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-Dihydro-beta-carboline
CID 139024388
2,2,4-Trimethyl-1,3-dihydropyrrolo[3,4-b]pyridine
CID 22156640
2-(cyclohexa-1,5-dien-1-ylmethylideneamino)-N-methylcyclohexa-1,5-dien-1-amine
CID 70856836
(1E)-1-[(4Z)-4-prop-2-enylidene-3-pyridinylidene]ethanamine
CID 89223414
N-[2-(2,3-dihydropyridin-5-yl)ethyl]-4-methylcyclohexa-1,5-dien-1-amine
CID 89503221
N-(1-imino-2-methylpropan-2-yl)-4-pent-4-enylcyclohexa-1,3-dien-1-amine
CID 89718509
(2Z,6Z)-2-(1,2,3,6-tetrahydropyridin-4-yl)-4,5-dihydroazocine
CID 123887554
N-prop-1-enyl-2-(1,2,3,6-tetrahydropyridin-2-yl)prop-2-en-1-imine
CID 123977542
N-methyl-1-(2-methylidene-6-prop-1-en-2-yl-1,3-dihydroazepin-7-yl)methanimine
CID 129144729
2-methylidene-5,6-dihydro-1H-1,7-naphthyridine
CID 129145137
3-Methyl-6-methylidene-5-propan-2-ylpyridin-3-amine
CID 129200499
6-Methylpyrido[2,3-c]azepin-6-amine
CID 132066218

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(Z)-but-2-enylidene]-N-tert-butyl-5-methylidenepyridin-3-amine?
The IUPAC name of (4E)-4-[(Z)-but-2-enylidene]-N-tert-butyl-5-methylidenepyridin-3-amine (CID 143181453) is (4E)-4-[(Z)-but-2-enylidene]-N-tert-butyl-5-methylidenepyridin-3-amine.
What is the SMILES notation for (4E)-4-[(Z)-but-2-enylidene]-N-tert-butyl-5-methylidenepyridin-3-amine?
The canonical SMILES for (4E)-4-[(Z)-but-2-enylidene]-N-tert-butyl-5-methylidenepyridin-3-amine is C=c1cncc(NC(C)(C)C)/c1=C/C=C\C.
What is the InChIKey of (4E)-4-[(Z)-but-2-enylidene]-N-tert-butyl-5-methylidenepyridin-3-amine?
The InChIKey is KARXBINKTLTDCR-UGLNBITBSA-N. The full InChI is InChI=1S/C14H20N2/c1-6-7-8-12-11(2)9-15-10-13(12)16-14(3,4)5/h6-10,16H,2H2,1,3-5H3/b7-6-,12-8+.
What are the key properties of (4E)-4-[(Z)-but-2-enylidene]-N-tert-butyl-5-methylidenepyridin-3-amine?
(4E)-4-[(Z)-but-2-enylidene]-N-tert-butyl-5-methylidenepyridin-3-amine has a molecular weight of 216.33 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(Z)-but-2-enylidene]-N-tert-butyl-5-methylidenepyridin-3-amine is sourced from PubChem (CID 143181453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).