N-tert-butyl-1,4-diphenylbuta-1,3-dien-1-amine

C20H23N — CID 174419746

IUPACN-tert-butyl-1,4-diphenylbuta-1,3-dien-1-amine
SMILESCC(C)(C)NC(=CC=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H23N/c1-20(2,3)21-19(18-14-8-5-9-15-18)16-10-13-17-11-6-4-7-12-17/h4-16,21H,1-3H3
InChIKeyNJEPLSQALXFCLH-UHFFFAOYSA-N
MW277.41 g/mol
LogP5.13
Rot. Bonds4

About N-tert-butyl-1,4-diphenylbuta-1,3-dien-1-amine

N-tert-butyl-1,4-diphenylbuta-1,3-dien-1-amine (PubChem CID 174419746) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is N-tert-butyl-1,4-diphenylbuta-1,3-dien-1-amine.

Molecular Properties

Compound NameN-tert-butyl-1,4-diphenylbuta-1,3-dien-1-amine
PubChem CID174419746
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC NameN-tert-butyl-1,4-diphenylbuta-1,3-dien-1-amine
SMILESCC(C)(C)NC(=CC=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H23N/c1-20(2,3)21-19(18-14-8-5-9-15-18)16-10-13-17-11-6-4-7-12-17/h4-16,21H,1-3H3
InChIKeyNJEPLSQALXFCLH-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.41
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1,4-diphenylbuta-1,3-dienyl)cyclohexanamine
CID 174416456
4-methylpenta-1,3-dienylbenzene
CID 3614395
1-(4,4-diphenylbuta-1,3-dienyl)-4-(4-phenylbuta-1,3-dienyl)benzene
CID 173138979
[(1E,3E)-4-phenylhexa-1,3,5-trienyl]benzene
CID 14747138
[(1Z,3E)-4-phenylhexa-1,3,5-trienyl]benzene
CID 145204139
(2Z,4E)-2,5-diphenylpenta-2,4-dienoic acid
CID 6108389
2,5-diphenylpenta-2,4-dienal
CID 173316530
1-chloro-4-phenylbuta-1,3-dien-1-ol
CID 88848274
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
4-phenylbuta-1,3-dienylbenzene
CID 162273071
trimethyl-(4-phenyl-1-trimethylsilylbuta-1,3-dienyl)silane
CID 71383002
(3-methyl-6-phenylhexa-1,3,5-trienyl)benzene
CID 618811

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1,4-diphenylbuta-1,3-dien-1-amine?
The IUPAC name of N-tert-butyl-1,4-diphenylbuta-1,3-dien-1-amine (CID 174419746) is N-tert-butyl-1,4-diphenylbuta-1,3-dien-1-amine.
What is the SMILES notation for N-tert-butyl-1,4-diphenylbuta-1,3-dien-1-amine?
The canonical SMILES for N-tert-butyl-1,4-diphenylbuta-1,3-dien-1-amine is CC(C)(C)NC(=CC=Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-tert-butyl-1,4-diphenylbuta-1,3-dien-1-amine?
The InChIKey is NJEPLSQALXFCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N/c1-20(2,3)21-19(18-14-8-5-9-15-18)16-10-13-17-11-6-4-7-12-17/h4-16,21H,1-3H3.
What are the key properties of N-tert-butyl-1,4-diphenylbuta-1,3-dien-1-amine?
N-tert-butyl-1,4-diphenylbuta-1,3-dien-1-amine has a molecular weight of 277.41 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1,4-diphenylbuta-1,3-dien-1-amine is sourced from PubChem (CID 174419746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).