N-[[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2-methylpropan-2-amine

C21H30N2 — CID 141067348

IUPACN-[[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2-methylpropan-2-amine
SMILESCC(C)(C)NN=C(CC1C=CC(C(C)(C)C)=C1)c1ccccc1
InChIInChI=1S/C21H30N2/c1-20(2,3)18-13-12-16(14-18)15-19(22-23-21(4,5)6)17-10-8-7-9-11-17/h7-14,16,23H,15H2,1-6H3
InChIKeyPXSIKZAPRXRFLM-UHFFFAOYSA-N
MW310.48 g/mol
LogP5.33
Rot. Bonds4

About N-[[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2-methylpropan-2-amine

N-[[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2-methylpropan-2-amine (PubChem CID 141067348) has the molecular formula C21H30N2 and a molecular weight of 310.48 g/mol. Its IUPAC name is N-[[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2-methylpropan-2-amine
PubChem CID141067348
Molecular FormulaC21H30N2
Molecular Weight310.48 g/mol
Exact Mass310.24
IUPAC NameN-[[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2-methylpropan-2-amine
SMILESCC(C)(C)NN=C(CC1C=CC(C(C)(C)C)=C1)c1ccccc1
InChIInChI=1S/C21H30N2/c1-20(2,3)18-13-12-16(14-18)15-19(22-23-21(4,5)6)17-10-8-7-9-11-17/h7-14,16,23H,15H2,1-6H3
InChIKeyPXSIKZAPRXRFLM-UHFFFAOYSA-N
XLogP5.33
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.48
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2-methylpropan-2-amine with MolForge

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Related Compounds

2-methyl-N-[[2-(3-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]aniline
CID 141067500
[1-(3-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethyl]benzene
CID 141345894
bis(3-tert-butylcyclopenta-2,4-dien-1-yl)-phenylphosphane
CID 102030256
N-[[2-(2-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2-methylaniline
CID 141067292
N-tert-butyl-1-phenylpropan-1-imine
CID 12694730
9-[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene
CID 100964973
N-[(Z)-(3,3-dimethyl-1-phenylbutylidene)amino]acetamide
CID 59351039
(NZ)-N-[(3E)-3-hydroxyimino-1,3-diphenylpropylidene]hydroxylamine
CID 6297502
N-[[2-(2-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2,6-di(propan-2-yl)aniline
CID 141067556
1,1,1-trifluoro-4-methylimino-4-phenylbutan-2-one
CID 7392503
N-[(2-amino-1-phenylethylidene)amino]aniline
CID 88823119
2-[(4-methoxyphenyl)hydrazinylidene]-2-phenylethanol
CID 88811907

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2-methylpropan-2-amine (CID 141067348) is N-[[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2-methylpropan-2-amine is CC(C)(C)NN=C(CC1C=CC(C(C)(C)C)=C1)c1ccccc1.
What is the InChIKey of N-[[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2-methylpropan-2-amine?
The InChIKey is PXSIKZAPRXRFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2/c1-20(2,3)18-13-12-16(14-18)15-19(22-23-21(4,5)6)17-10-8-7-9-11-17/h7-14,16,23H,15H2,1-6H3.
What are the key properties of N-[[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2-methylpropan-2-amine?
N-[[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2-methylpropan-2-amine has a molecular weight of 310.48 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2-methylpropan-2-amine is sourced from PubChem (CID 141067348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).