N-tert-butyl-3-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]aniline

C15H20N2 — CID 143181239

IUPACN-tert-butyl-3-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]aniline
SMILESC=C/C=C(\N=C)c1cccc(NC(C)(C)C)c1
InChIInChI=1S/C15H20N2/c1-6-8-14(16-5)12-9-7-10-13(11-12)17-15(2,3)4/h6-11,17H,1,5H2,2-4H3/b14-8-
InChIKeyPNCORSPCEAMESK-ZSOIEALJSA-N
MW228.34 g/mol
LogP4.12
Rot. Bonds4

About N-tert-butyl-3-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]aniline

N-tert-butyl-3-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]aniline (PubChem CID 143181239) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-tert-butyl-3-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]aniline.

Molecular Properties

Compound NameN-tert-butyl-3-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]aniline
PubChem CID143181239
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC NameN-tert-butyl-3-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]aniline
SMILESC=C/C=C(\N=C)c1cccc(NC(C)(C)C)c1
InChIInChI=1S/C15H20N2/c1-6-8-14(16-5)12-9-7-10-13(11-12)17-15(2,3)4/h6-11,17H,1,5H2,2-4H3/b14-8-
InChIKeyPNCORSPCEAMESK-ZSOIEALJSA-N
XLogP4.12
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]aniline?
The IUPAC name of N-tert-butyl-3-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]aniline (CID 143181239) is N-tert-butyl-3-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]aniline.
What is the SMILES notation for N-tert-butyl-3-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]aniline?
The canonical SMILES for N-tert-butyl-3-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]aniline is C=C/C=C(\N=C)c1cccc(NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-3-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]aniline?
The InChIKey is PNCORSPCEAMESK-ZSOIEALJSA-N. The full InChI is InChI=1S/C15H20N2/c1-6-8-14(16-5)12-9-7-10-13(11-12)17-15(2,3)4/h6-11,17H,1,5H2,2-4H3/b14-8-.
What are the key properties of N-tert-butyl-3-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]aniline?
N-tert-butyl-3-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]aniline has a molecular weight of 228.34 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]aniline is sourced from PubChem (CID 143181239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).